Resolution: 1.3→38.97 Å / Num. all: 31049 / Num. obs: 31049 / % possible obs: 96.4 % / Redundancy: 6.2 % / Rsym value: 0.132 / Net I/σ(I): 9.1
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Mean I/σ(I) obs
Rsym value
Diffraction-ID
% possible all
1.3-1.37
5.8
0.321
2.3
0.321
1
94.8
1.37-1.45
6.3
0.268
2.7
0.268
1
95.7
1.45-1.55
5.8
0.205
3.3
0.205
1
95.4
1.55-1.68
6.5
0.177
3.7
0.177
1
97.1
1.68-1.84
6.2
0.152
4.1
0.152
1
97.5
1.84-2.06
6.2
0.133
4.3
0.133
1
96.5
2.06-2.37
6.5
0.122
4.8
0.122
1
98.6
2.37-2.91
5.9
0.117
4.8
0.117
1
96.1
2.91-4.11
6.4
0.122
4
0.122
1
99.4
4.11-33.616
6.1
0.119
4.4
0.119
1
93.9
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Model details: Phaser MODE: MR_AUTO
Highest resolution
Lowest resolution
Rotation
2.5 Å
33.62 Å
Translation
2.5 Å
33.62 Å
-
Processing
Software
Name
Version
Classification
NB
MOSFLM
datareduction
SCALA
3.3.20
datascaling
PHASER
2.3.0
phasing
REFMAC
refinement
PDB_EXTRACT
3.11
dataextraction
RemDAq
datacollection
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.3→38.97 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.957 / Occupancy max: 1 / Occupancy min: 0.3 / SU B: 1.568 / SU ML: 0.035 / SU R Cruickshank DPI: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.058 / ESU R Free: 0.056 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.19759
1568
5.1 %
RANDOM
Rwork
0.18744
-
-
-
obs
0.18794
29446
95.88 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK