Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Dec 17, 2011
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Redundancy: 3.9 % / Av σ(I) over netI: 2.5 / Number: 62372 / Rsym value: 0.066 / D res high: 1.63 Å / D res low: 29.599 Å / Num. obs: 15933 / % possible obs: 96.6
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
5.15
29.6
99.6
1
0.071
0.071
3.8
3.64
5.15
100
1
0.056
0.056
4.2
2.98
3.64
100
1
0.051
0.051
4.1
2.58
2.98
99.9
1
0.045
0.045
4
2.31
2.58
98.6
1
0.058
0.058
3.9
2.1
2.31
97.5
1
0.072
0.072
4
1.95
2.1
97
1
0.105
0.105
4.1
1.82
1.95
97.6
1
0.169
0.169
4.2
1.72
1.82
98.3
1
0.25
0.25
4.2
1.63
1.72
85.7
1
0.354
0.354
2.7
Reflection
Resolution: 1.63→32.37 Å / Num. all: 16494 / Num. obs: 15933 / % possible obs: 96.6 % / Redundancy: 3.9 % / Biso Wilson estimate: 20.8 Å2 / Rmerge(I) obs: 0.066 / Rsym value: 0.066 / Net I/σ(I): 12.4
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
1.63-1.72
2.7
0.354
2.2
5477
1998
0.354
85.7
1.72-1.82
4.2
0.25
3
9233
2192
0.25
98.3
1.82-1.95
4.2
0.169
4.3
8583
2057
0.169
97.6
1.95-2.1
4.1
0.105
6.5
7866
1911
0.105
97
2.1-2.31
4
0.072
9.3
7115
1766
0.072
97.5
2.31-2.58
3.9
0.058
11.2
6426
1641
0.058
98.6
2.58-2.98
4
0.045
14.1
5863
1478
0.045
99.9
2.98-3.64
4.1
0.051
9.6
5268
1272
0.051
100
3.64-5.15
4.2
0.056
4.5
4229
1012
0.056
100
5.15-29.599
3.8
0.071
3.5
2312
606
0.071
99.6
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
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
3.3.20
datascaling
PHASER
2.3.0
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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