Summary report for Directory: home/alank/data/reg0706

Report generated Jul 10, 2006; 09:51:29

Unit cell

6139 reflections with 1.00°<theta<26.02° (resolution between 20.36A and 0.81A) were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)9.4360 +/- 0.0006
b (Angstrom)16.0009 +/- 0.0008
c (Angstrom)20.7248 +/- 0.0011
alpha (°) 90.000
beta (°)98.967 +/- 0.002
gamma (°) 90.000
Volume (A**3)3090.9 +/- 0.3
Mosaicity (°)1.460 +/- 0.002

Data collection

Summary

Total number of images collected584
Total exposure time28.1 hours
Data collection exposure time27.9 hours
Data collection wall-clock time29.0 hours

Experimental Conditions

Wavelength0.71073 A
Cryostat setting123.00K
Generator setting55kV 32mA

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Detector
distance
Used in
scaling
cell determinationi01f10 10.0° omega1.000°60 seconds40.00 mmNo
data collections01f395276.5° phi0.700°175 seconds39.80 mmYes
data collections02f179125.3° omega0.700°175 seconds39.80 mmYes

Scalepack Scaling

Deleted observations

Rejected 156
Zero sigma or profile test  19
Overload or incomplete profile1684
Sigma cutoff  71
High resolution limit 146

Final Data Set

Scale factor range9.91-12.65
Number of 'full' reflections     0
Number of 'partial' reflections 29629
Total number of integrated reflections 27643
Total number of unique reflections  6309
Data completeness  99.8%
Resolution range20.36-0.81 A
Theta range1.00°-26.02°
Average Intensity   29.1
Average Sigma(I)    2.6
Overall R-merge (linear)  0.087


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