Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97929 Å / Relative weight: 1
Reflection
Resolution: 2→30 Å / Num. obs: 35690 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 11.3 % / Rmerge(I) obs: 0.096 / Net I/σ(I): 26.88
Reflection shell
Resolution: 2→2.03 Å / Redundancy: 11.3 % / Rmerge(I) obs: 0.96 / Mean I/σ(I) obs: 2.75 / CC1/2: 0.822 / % possible all: 100
-
Processing
Software
Name
Version
Classification
PHENIX
(dev_2386)
refinement
HKL-3000
datareduction
HKL-3000
datascaling
HKL-3000
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.001→28.628 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 19.38 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2049
1815
5.1 %
random
Rwork
0.1609
-
-
-
obs
0.163
35618
99.54 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL