BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 ... BIOMOLECULE: 1 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). SIZE EXCLUSION CHROMATOGRAPHY WITH STATIC LIGHT SCATTERING SUPPORTS THE ASSIGNMENT OF A DIMER AS A BIOLOGICALLY SIGNIFICANT OLIGIMERIZATION STATE.
Remark 999
SEQUENCE: THIS GENE USES AN ALTERNATE INITIATION CODON THAT RESULTS IN A VALINE AT POSITION 1 WHEN ...SEQUENCE: THIS GENE USES AN ALTERNATE INITIATION CODON THAT RESULTS IN A VALINE AT POSITION 1 WHEN EXPRESSED AS A FUSION
Monochromator: single crystal Si(111) bent monochromator / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
ID
Wavelength (Å)
Relative weight
1
0.91837
1
2
0.979508
1
Reflection
Resolution: 2.3→29.18 Å / Num. obs: 21323 / % possible obs: 99.5 % / Redundancy: 5 % / Rsym value: 0.093 / Net I/σ(I): 6
Reflection shell
Resolution (Å)
Redundancy (%)
Mean I/σ(I) obs
Num. measured obs
Rsym value
Diffraction-ID
% possible all
2.3-2.36
3.7
1.2
1507
0.612
1
95.8
2.36-2.42
3.6
1.5
1531
0.513
1
99.9
2.42-2.49
3.7
1.8
1493
0.406
1
99.9
2.49-2.57
3.6
2.3
1466
0.327
1
99.6
2.57-2.66
3.6
2.8
1391
0.26
1
99.9
2.66-2.75
3.6
3.5
1340
0.213
1
99.8
2.75-2.85
3.6
4.1
1334
0.18
1
99.7
2.85-2.97
3.6
5.2
1274
0.141
1
100
2.97-3.1
3.7
6
1195
0.117
1
99.4
3.1-3.25
7.3
3.2
1163
0.211
1
100
3.25-3.43
7.2
4.3
1098
0.154
1
100
3.43-3.64
7.3
6
1062
0.113
1
100
3.64-3.89
7.2
7.5
981
0.09
1
100
3.89-4.2
7.1
8.8
930
0.076
1
100
4.2-4.6
7.1
9.2
848
0.069
1
100
4.6-5.14
6.9
9.8
752
0.065
1
100
5.14-5.94
6.6
9
683
0.073
1
100
5.94-7.27
6.6
8.6
579
0.074
1
100
7.27-10.29
6.6
10.7
450
0.054
1
100
10.29-29.18
5.7
12.2
246
0.05
1
96.1
-
Phasing
Phasing
Method: MAD
-
Processing
Software
Name
Version
Classification
NB
REFMAC
5.2.0005
refinement
SCALA
datascaling
PDB_EXTRACT
1.601
dataextraction
MOSFLM
datareduction
CCP4
(SCALA)
datascaling
SOLVE
phasing
Refinement
Method to determine structure: MAD / Resolution: 2.3→29.18 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.92 / SU B: 17.312 / SU ML: 0.202 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.33 / ESU R Free: 0.251 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS 2. DENSITY NEAR A89 AND B89 MODELED AS UNL BASED ON SIMILARITY TO PDB 1VI0 (LIKELY PART OF A COA MOIETY)
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.264
1105
5.2 %
RANDOM
Rwork
0.201
-
-
-
all
0.204
-
-
-
obs
0.20399
20200
99.77 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
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