Resolution: 2.8→50 Å / Num. obs: 11845 / % possible obs: 99.9 % / Redundancy: 8.1 % / Rmerge(I) obs: 0.092 / Χ2: 1 / Net I/σ(I): 8.3
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. unique all
Χ2
% possible all
2.8-2.85
8.2
0.717
571
0.982
100
2.85-2.9
7.9
0.625
602
0.992
100
2.9-2.96
8.3
0.639
552
0.986
100
2.96-3.02
8.2
0.459
585
0.95
100
3.02-3.08
8.2
0.385
582
1.02
100
3.08-3.15
8.2
0.308
580
0.973
100
3.15-3.23
8.2
0.212
572
0.979
100
3.23-3.32
8.3
0.163
580
1.021
100
3.32-3.42
8.2
0.129
571
1.034
100
3.42-3.53
8.1
0.113
597
0.974
100
3.53-3.65
8.3
0.1
579
1.012
100
3.65-3.8
8.2
0.097
590
0.991
100
3.8-3.97
8.1
0.087
595
0.986
100
3.97-4.18
8.3
0.067
573
1.025
100
4.18-4.44
8.2
0.063
594
0.996
100
4.44-4.79
8.1
0.06
604
1.008
100
4.79-5.27
8.1
0.056
604
1.03
100
5.27-6.03
8.1
0.054
606
0.996
100
6.03-7.59
7.9
0.052
622
1.027
100
7.59-50
7.1
0.036
686
1.008
98.7
-
Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
PHENIX
1.6.2_432
refinement
PDB_EXTRACT
3.1
dataextraction
CBASS
datacollection
HKL-2000
datareduction
SOLVE
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.8→36.262 Å / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.8113 / SU ML: 0.35 / σ(F): 1.35 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2398
556
4.71 %
Rwork
0.1927
-
-
obs
0.195
11798
99.93 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 34.698 Å2 / ksol: 0.337 e/Å3
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