Component-ID: 0 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: ASP / End label comp-ID: ASP / Refine code: 0 / Auth seq-ID: 1 - 306 / Label seq-ID: 1 - 306
Monochromator: DCM Si (111) Crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97949 Å / Relative weight: 1
Reflection
Resolution: 2.25→50 Å / Num. obs: 66609 / % possible obs: 100 % / Redundancy: 14.6 % / Rsym value: 0.09 / Net I/σ(I): 9
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
PDB_EXTRACT
3.15
dataextraction
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Resolution: 2.3→33.41 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.916 / SU B: 6.261 / SU ML: 0.154 / Cross valid method: THROUGHOUT / ESU R: 0.346 / ESU R Free: 0.245 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24819
2970
5.1 %
RANDOM
Rwork
0.20382
-
-
-
obs
0.20605
55129
90.18 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK