Alert level A
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 7.81 Ratio
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 7.06 Ratio
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C33
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.61 Ratio
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.71 Ratio
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C2
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C32
PLAT360_ALERT_2_B Short C(sp3)-C(sp3) Bond C33 - C34 ... 1.26 Ang.
Alert level C
STRVA01_ALERT_4_C Flack test results are ambiguous.
From the CIF: _refine_ls_abs_structure_Flack 0.342
From the CIF: _refine_ls_abs_structure_Flack_su 0.010
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98
PLAT213_ALERT_2_C Atom C33 has ADP max/min Ratio ..... 3.30 prola
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2'
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.15
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 7
PLAT355_ALERT_3_C Long O-H Bond (0.82A) O1 - H1O ... 1.02 Ang.
PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero ..... 0.34
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C17 H27 N2
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4
H2 O
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 27.47
From the CIF: _reflns_number_total 7353
Count of symmetry unique reflns 4326
Completeness (_total/calc) 169.97%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 3027
Fraction of Friedel pairs measured 0.700
Are heavy atom types Z>Si present yes
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 5
3 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
