Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Mar 17, 2012
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.52 Å / Relative weight: 1
Reflection
Redundancy: 4.4 % / Av σ(I) over netI: 6.6 / Number: 64294 / Rsym value: 0.101 / D res high: 1.715 Å / D res low: 29.24 Å / Num. obs: 14452 / % possible obs: 99.8
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
5.42
29.24
99.5
1
0.042
0.042
4
3.83
5.42
100
1
0.044
0.044
4.4
3.13
3.83
100
1
0.055
0.055
4.5
2.71
3.13
100
1
0.079
0.079
4.6
2.43
2.71
100
1
0.106
0.106
4.6
2.21
2.43
100
1
0.134
0.134
4.6
2.05
2.21
100
1
0.168
0.168
4.5
1.92
2.05
99.8
1
0.26
0.26
4.5
1.81
1.92
99.6
1
0.371
0.371
4.4
1.72
1.81
99.1
1
0.619
0.619
4.2
Reflection
Resolution: 1.72→29.24 Å / Num. all: 14481 / Num. obs: 14452 / % possible obs: 99.8 % / Redundancy: 4.4 % / Biso Wilson estimate: 18 Å2 / Rmerge(I) obs: 0.101 / Rsym value: 0.101 / Net I/σ(I): 9.2
Reflection shell
Diffraction-ID: 1
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. unique all
Rsym value
% possible all
1.72-1.81
4.2
0.619
1.2
2033
0.619
99.1
1.81-1.92
4.4
0.371
2.1
1952
0.371
99.6
1.92-2.05
4.5
0.26
2.9
1842
0.26
99.8
2.05-2.21
4.5
0.168
4.3
1747
0.168
100
2.21-2.43
4.6
0.134
5.4
1590
0.134
100
2.43-2.71
4.6
0.106
6.8
1455
0.106
100
2.71-3.13
4.6
0.079
8.5
1306
0.079
100
3.13-3.83
4.5
0.055
11.8
1105
0.055
100
3.83-5.42
4.4
0.044
13.7
893
0.044
100
5.42-29.24
4
0.042
14.8
529
0.042
99.5
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Model details: Phaser MODE: MR_AUTO
Highest resolution
Lowest resolution
Rotation
2.5 Å
28.59 Å
Translation
2.5 Å
28.59 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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