Summary report for Directory: home/alank/data/reg1205

Report generated Dec 22, 2005; 10:19:23

Unit cell

5729 reflections with 1.00°<theta<25.35° (resolution between 20.36A and 0.83A) were used for unit cell refinement

Symmetry used
in scalepack
p2
a (Angstrom)12.1961 +/- 0.0004
b (Angstrom)18.6353 +/- 0.0007
c (Angstrom)13.4696 +/- 0.0004
alpha (°) 90.000
beta (°)93.802 +/- 0.002
gamma (°) 90.000
Volume (A**3)3054.61 +/- 0.18
Mosaicity (°)0.590 +/- 0.002

Data collection

Summary

Total number of images collected283
Total exposure time17.5 hours
Data collection exposure time17.3 hours
Data collection wall-clock time18.0 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 collections01f66125.4° omega1.900°228 seconds39.80 mmYes
data collections02f31 58.9° omega1.900°228 seconds39.80 mmYes
data collections03f64121.6° omega1.900°228 seconds39.80 mmYes
data collections04f65123.5° omega1.900°228 seconds39.80 mmYes
data collections05f47 89.3° omega1.900°228 seconds39.80 mmYes

Scalepack Scaling

Deleted observations

Rejected  43
Overload or incomplete profile1244
Sigma cutoff  28
High resolution limit 234

Final Data Set

Scale factor range9.83-10.74
Number of 'full' reflections 22009
Number of 'partial' reflections 16834
Total number of integrated reflections 37321
Total number of unique reflections  5743
Data completeness 100.0%
Resolution range20.36-0.83 A
Theta range1.00°-25.35°
Average Intensity   20.7
Average Sigma(I)    1.4
Overall R-merge (linear)  0.102


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