Mass: 50876.094 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 2.8→50 Å / Num. all: 10761 / Num. obs: 10729 / % possible obs: 99.7 % / Observed criterion σ(I): 1 / Redundancy: 6.2 % / Biso Wilson estimate: 16.75 Å2 / Rsym value: 0.192 / Net I/σ(I): 8.95
Reflection shell
Resolution (Å)
Redundancy (%)
Mean I/σ(I) obs
Num. unique all
Rsym value
Diffraction-ID
% possible all
2.8-2.9
5.8
2.32
1108
0.742
1
99.2
2.9-3.02
5.9
2.64
1116
0.661
1
100
-
Processing
Software
Name
Version
Classification
CrystalClear
datacollection
PHASER
MR
phasing
REFMAC
5.8.0073
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→50 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.871 / SU B: 42.967 / SU ML: 0.379 / Cross valid method: THROUGHOUT / ESU R Free: 0.471 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28534
574
5.1 %
RANDOM
Rwork
0.20752
-
-
-
obs
0.2115
10729
99.66 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK