Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Nov 3, 2010
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Redundancy: 4.5 % / Av σ(I) over netI: 4.6 / Number: 69901 / Rsym value: 0.097 / D res high: 1.685 Å / D res low: 29.599 Å / Num. obs: 15402 / % possible obs: 100
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
5.33
29.6
99.5
1
0.071
0.071
4.1
3.77
5.33
100
1
0.069
0.069
4.5
3.08
3.77
100
1
0.077
0.077
4.6
2.66
3.08
100
1
0.084
0.084
4.7
2.38
2.66
100
1
0.098
0.098
4.6
2.18
2.38
100
1
0.117
0.117
4.6
2.01
2.18
100
1
0.152
0.152
4.6
1.88
2.01
100
1
0.226
0.226
4.6
1.78
1.88
100
1
0.346
0.346
4.5
1.68
1.78
100
1
0.592
0.592
4.3
Reflection
Resolution: 1.685→29.6 Å / Num. all: 15402 / Num. obs: 15402 / % possible obs: 100 % / Redundancy: 4.5 % / Biso Wilson estimate: 22.2 Å2 / Rmerge(I) obs: 0.097 / Rsym value: 0.097 / Net I/σ(I): 9.1
Reflection shell
Diffraction-ID: 1
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
1.68-1.78
4.3
0.592
1.3
9518
2189
0.592
100
1.78-1.88
4.5
0.346
2.2
9385
2076
0.346
100
1.88-2.01
4.6
0.226
3.2
9045
1985
0.226
100
2.01-2.18
4.6
0.152
4.6
8431
1839
0.152
100
2.18-2.38
4.6
0.117
5.8
7797
1687
0.117
100
2.38-2.66
4.6
0.098
6.8
7260
1564
0.098
100
2.66-3.08
4.7
0.084
7.3
6428
1379
0.084
100
3.08-3.77
4.6
0.077
7.4
5448
1178
0.077
100
3.77-5.33
4.5
0.069
8
4287
943
0.069
100
5.33-29.599
4.1
0.071
6
2302
562
0.071
99.5
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Rfactor: 55.04 / Model details: Phaser MODE: MR_AUTO
Highest resolution
Lowest resolution
Rotation
2.5 Å
29.6 Å
Translation
2.5 Å
29.6 Å
-
Processing
Software
Name
Version
Classification
NB
SCALA
3.3.16
datascaling
PHASER
2.1.4
phasing
REFMAC
refinement
PDB_EXTRACT
3.11
dataextraction
CrystalClear
datacollection
MOSFLM
datareduction
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2OSS
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