Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jun 16, 2012
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Redundancy: 4.6 % / Av σ(I) over netI: 6.3 / Number: 66390 / Rsym value: 0.119 / D res high: 1.72 Å / D res low: 19.455 Å / Num. obs: 14500 / % possible obs: 99.5
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
5.44
19.45
98.1
1
0.038
0.038
4.1
3.85
5.44
99.8
1
0.041
0.041
4.5
3.14
3.85
99.9
1
0.052
0.052
4.6
2.72
3.14
99.9
1
0.082
0.082
4.6
2.43
2.72
99.9
1
0.12
0.12
4.6
2.22
2.43
99.8
1
0.158
0.158
4.6
2.06
2.22
99.5
1
0.207
0.207
4.6
1.92
2.06
99.1
1
0.333
0.333
4.6
1.81
1.92
99.3
1
0.521
0.521
4.6
1.72
1.81
99
1
0.766
0.766
4.5
Reflection
Resolution: 1.72→19.455 Å / Num. all: 14573 / Num. obs: 14500 / % possible obs: 99.5 % / Redundancy: 4.6 % / Biso Wilson estimate: 15.3 Å2 / Rmerge(I) obs: 0.119 / Rsym value: 0.119 / Net I/σ(I): 10.3
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
1.72-1.81
4.5
0.766
1
9341
2056
0.766
99
1.81-1.92
4.6
0.521
1.5
8983
1972
0.521
99.3
1.92-2.06
4.6
0.333
2.3
8441
1834
0.333
99.1
2.06-2.22
4.6
0.207
3.8
7987
1725
0.207
99.5
2.22-2.43
4.6
0.158
5
7391
1598
0.158
99.8
2.43-2.72
4.6
0.12
6.6
6855
1475
0.12
99.9
2.72-3.14
4.6
0.082
9.4
6042
1302
0.082
99.9
3.14-3.85
4.6
0.052
13.8
5200
1132
0.052
99.9
3.85-5.44
4.5
0.041
16.8
3987
882
0.041
99.8
5.44-19.455
4.1
0.038
18.3
2163
524
0.038
98.1
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Model details: Phaser MODE: MR_AUTO
Highest resolution
Lowest resolution
Rotation
3.5 Å
19.45 Å
Translation
3.5 Å
19.45 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
XDS
datareduction
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2OSS
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