Summary report for Directory: home/alank/data/reg1103

Report generated Nov 12, 2003; 16:28:29

Unit cell

6846 reflections with 1.00°<theta<27.10° (resolution between 20.36A and 0.78A) were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)12.6994 +/- 0.0005
b (Angstrom)17.2400 +/- 0.0007
c (Angstrom)14.8768 +/- 0.0005
alpha (°) 90.000
beta (°)108.853 +/- 0.002
gamma (°) 90.000
Volume (A**3)3082.3 +/- 0.2
Mosaicity (°)0.976 +/- 0.002

Data collection

Summary

Total number of images collected267
Total exposure time211.5 minutes
Data collection exposure time206.5 minutes
Data collection wall-clock time232.6 minutes

Experimental Conditions

Wavelength0.71073 A
Cryostat setting123.00K
Generator setting55kV 32mA
Crystal to detector distance40.00 mm

Scans

TypeName# imagesTotal
Rotation
Per frame
Rotation
Exposure
per frame
Used in
scaling
cell determinationi01f10 10.0° omega1.000°30 secondsNo
data collections01f180288.0° phi1.600°48 secondsYes
data collections02f77123.2° omega1.600°48 secondsYes

Scalepack Scaling

Deleted observations

Rejected  89
Zero sigma or profile test   1
Overload or incomplete profile2114
Sigma cutoff  47
High resolution limit 110

Final Data Set

Scale factor range10.00-13.34
Number of 'full' reflections  7678
Number of 'partial' reflections 23849
Total number of integrated reflections 29534
Total number of unique reflections  7002
Data completeness  99.9%
Resolution range20.36-0.78 A
Theta range1.00°-27.10°
Average Intensity   35.4
Average Sigma(I)    2.3
Overall R-merge (linear)  0.080


...