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 collected 584
Total exposure time 28.1 hours
Data collection exposure time 27.9 hours
Data collection wall-clock time 29.0 hours

Experimental Conditions

Wavelength 0.71073 A
Cryostat setting 123.00K
Generator setting 55kV 32mA

Scans

Type Name # images Total
Rotation
Per frame
Rotation
Exposure
per frame
Detector
distance
Used in
scaling
cell determination i01f 10  10.0° omega 1.000° 60 seconds 40.00 mm No
data collection s01f 395 276.5° phi 0.700° 175 seconds 39.80 mm Yes
data collection s02f 179 125.3° omega 0.700° 175 seconds 39.80 mm Yes

Scalepack Scaling

Deleted observations

Rejected  156
Zero sigma or profile test   19
Overload or incomplete profile 1684
Sigma cutoff   71
High resolution limit  146

Final Data Set

Scale factor range 9.91-12.65
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 range 20.36-0.81 A
Theta range 1.00°-26.02°
Average Intensity    29.1
Average Sigma(I)     2.6
Overall R-merge (linear)   0.087


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