Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.41→120.3 Å / Num. obs: 39635 / % possible obs: 99.9 % / Observed criterion σ(I): -3 / Redundancy: 13.3 % / Biso Wilson estimate: 57.81 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.217 / Net I/σ(I): 11.21
Reflection shell
Resolution (Å)
Rmerge(I) obs
Mean I/σ(I) obs
CC1/2
Diffraction-ID
% possible all
2.41-2.47
2.961
1.04
0.357
1
99.9
2.47-2.54
2.487
1.25
0.44
1
99.9
2.54-2.61
2.12
1.48
0.565
1
99.9
2.61-2.69
1.71
1.87
0.665
1
100
2.69-2.78
1.375
2.36
0.741
1
99.7
2.78-2.88
1.017
3.2
0.845
1
99.9
2.88-2.99
0.837
4
0.886
1
100
2.99-3.11
0.619
5.69
0.948
1
100
3.11-3.25
0.41
8.2
0.972
1
100
3.25-3.41
0.299
10.94
0.983
1
100
3.41-3.59
0.221
13.87
0.991
1
99.9
3.59-3.81
0.176
16.02
0.993
1
99.9
3.81-4.07
0.128
21.08
0.996
1
100
4.07-4.4
0.098
26.32
0.998
1
99.9
4.4-4.82
0.085
29.07
0.998
1
99.9
4.82-5.39
0.089
26.41
0.998
1
99.9
5.39-6.22
0.092
25.27
0.998
1
99.8
6.22-7.62
0.075
30.07
0.998
1
100
7.62-10.78
0.045
40.02
0.999
1
99.8
10.78-120.34
0.042
41.36
0.999
1
97.6
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Processing
Software
Name
Version
Classification
NB
XSCALE
datascaling
PDB_EXTRACT
3.2
dataextraction
PHENIX
refinement
XDS
datareduction
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: inhouse model Resolution: 2.41→47.201 Å / SU ML: 0.41 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 26.83 Details: ligand does not bind at the active site but acts as an additive for crystallization. Two of the four molecules in the a.u. have their C-terminal beta-strand domain-swapped.