EPSRC National Crystallography Service

Data Collection Summary

Summary report for Directory: diska/00src137

Report generated May 05, 2000; 11:41:38

Unit cell

9932 reflections with 1.00<theta<27.48 degrees were used for unit cell refinement
 
 
Symmetry used
in scalepack		 p1
a (Angstrom) 11.5628 +/- 0.0005
b (Angstrom) 12.1797 +/- 0.0005
c (Angstrom) 14.6529 +/- 0.0008
alpha (degrees) 80.292 +/- 0.002
beta (degrees) 72.282 +/- 0.002
gamma (degrees) 81.472 +/- 0.002
Mosaicity (degrees) 0.564

Data collection

Summary

Total number of images collected 179
Total exposure time 140.8 minutes
Data collection exposure time 134.7 minutes
Data collection wall-clock time 157.7 minutes

Experimental Conditions

Wavelength (Angstrom) 0.71073
High voltage (kV) 50
Tube current (mA) 90

Scans

Type Name # images Total
Rotation		 Per frame
Rotation		 Exposure
per frame		 Used in
scaling
cell determination j01f 10  10.0° phi 1.0 20 seconds No
data collection s01f 55 110.0° omega 2.0 50 seconds Yes
data collection s02f 54 108.0° omega 2.0 50 seconds Yes
data collection s03f 52 104.0° omega 2.0 50 seconds Yes

Final Data Set

Scale factor range 10.00-10.00
Number of 'full' reflections  12377
Number of 'partial' reflections  23749
Total number of integrated reflections  21418
Total number of unique reflections   7720
Data completeness   89.3%
Resolution range 20.40-0.77 A
Overall R-merge (square)   0.132

 

Crystal Information

Collection Temperature  150 K
Crystal Size  0.07 x 0.05  x 0.05
Crystal Colour  Orange
Crystal Shape  Block
N.B. The scaling summary is redundant as outliers are treated during the absorption correction using SORTAV.
The quoted data completeness is for the stated resolution ranges
For more information visit the service web site at: http://www.soton.ac.uk/~xservice/