Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jan 26, 2011 Details: DCM with cryo-cooled 1st crystal sagittally bent 2nd crystal followed by vertically focusing
Radiation
Monochromator: 20mm hydrid small gap in-vacuum undulator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97949 Å / Relative weight: 1
Reflection
Resolution: 1.54→50 Å / Num. obs: 70712 / % possible obs: 85 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 31.727 Å2 / Rmerge(I) obs: 0.046 / Net I/σ(I): 13.96
Reflection shell
Resolution (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
Diffraction-ID
% possible all
1.54-1.58
0.015
0.44
3050
2002
1
32.7
1.58-1.62
0.015
0.82
6219
2834
1
47.3
1.62-1.67
0.015
1.01
8077
3453
1
59.8
1.67-1.72
0.015
1.36
10063
4080
1
72
1.72-1.78
0.015
1.74
12429
4610
1
84.6
1.78-1.84
0.015
2.67
15558
4943
1
93
1.84-1.91
0.015
3.79
20143
5062
1
99.7
1.91-1.99
0.015
5.83
20364
4940
1
99.7
1.99-2.08
0.015
7.65
19484
4701
1
99.8
2.08-2.18
0.015
10.36
18840
4514
1
99.8
2.18-2.3
0.015
12.77
17907
4287
1
99.7
2.3-2.43
0.015
16.19
16942
4039
1
99.7
2.43-2.6
0.015
19.84
15990
3819
1
99.7
2.6-2.81
0.015
23.35
14991
3579
1
99.8
2.81-3.08
0.015
29.4
13813
3290
1
99.8
3.08-3.44
0.015
36.19
12429
2978
1
99.7
3.44-3.98
0.015
42.53
10955
2621
1
99.7
3.98-4.87
0.015
45.89
9344
2239
1
99.6
4.87-6.89
0.015
44.51
7239
1741
1
99.8
6.89-100
0.015
47.91
3904
980
1
98.4
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Highest resolution
Lowest resolution
Rotation
2.1 Å
45.09 Å
Translation
2.1 Å
45.09 Å
-
Processing
Software
Name
Version
Classification
NB
XSCALE
datascaling
MOLREP
phasing
REFMAC
refinement
PDB_EXTRACT
3.11
dataextraction
Macromolecular
crystallographydatacollectorsoftware
datacollection
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2qcm
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