Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54 Å / Relative weight: 1
Reflection
Resolution: 2.9→50 Å / Num. obs: 6932 / % possible obs: 97.3 % / Observed criterion σ(I): -3 / Redundancy: 2.5 % / Rmerge(I) obs: 0.115 / Net I/σ(I): 7.9
Reflection shell
Resolution: 2.9→3 Å / Redundancy: 2 % / Rmerge(I) obs: 0.33 / Mean I/σ(I) obs: 2.2 / % possible all: 89.3
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: AtCBSX1 Resolution: 2.9→43.39 Å / Cor.coef. Fo:Fc: 0.922 / Cor.coef. Fo:Fc free: 0.876 / SU B: 21.025 / SU ML: 0.414 / Cross valid method: THROUGHOUT / ESU R Free: 0.525 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.3231
327
4.7 %
RANDOM
Rwork
0.26572
-
-
-
obs
0.26857
6598
97.29 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å