Monochromator: Ni FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.54184 Å / Relative weight: 1
Reflection
Redundancy: 7 % / Av σ(I) over netI: 11.5 / Number: 77164 / Rmerge(I) obs: 0.047 / Rsym value: 0.047 / D res high: 1.8 Å / D res low: 55.407 Å / Num. obs: 10974 / % possible obs: 97.6
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Rsym value
Redundancy
5.69
33.69
99.6
1
0.032
0.032
7.8
4.02
5.69
100
1
0.033
0.033
8.7
3.29
4.02
100
1
0.037
0.037
8.2
2.85
3.29
99.8
1
0.041
0.041
7.4
2.55
2.85
99.4
1
0.044
0.044
7.1
2.32
2.55
98
1
0.051
0.051
7
2.15
2.32
95.6
1
0.069
0.069
6.8
2.01
2.15
95.1
1
0.08
0.08
7.1
1.9
2.01
95.9
1
0.11
0.11
7
1.8
1.9
97.2
1
0.127
0.127
5.3
Reflection
Resolution: 1.651→33.69 Å / Num. obs: 13095 / % possible obs: 90.3 % / Redundancy: 6.4 % / Rmerge(I) obs: 0.048 / Rsym value: 0.048 / Net I/σ(I): 11.182
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
% possible all
1.65-1.74
2
0.107
6.5
1983
982
0.107
48.7
1.74-1.84
4
0.13
5.3
7618
1895
0.13
97.1
1.84-1.97
6.4
0.12
5.7
11427
1776
0.12
96.2
1.97-2.13
7.1
0.085
7.8
11725
1649
0.085
95.7
2.13-2.33
6.9
0.068
8.8
10465
1522
0.068
95.4
2.33-2.61
7
0.049
13.3
9951
1428
0.049
98.5
2.61-3.01
7.2
0.043
14.5
9293
1294
0.043
99.5
3.01-3.69
7.8
0.04
14.6
8680
1109
0.04
99.9
3.69-5.22
8.6
0.033
17.7
7711
896
0.033
100
5.22-33.69
8
0.033
15.4
4325
544
0.033
99.7
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Highest resolution
Lowest resolution
Rotation
3.5 Å
33.69 Å
Translation
3.5 Å
33.69 Å
-
Processing
Software
Name
Version
Classification
NB
MOSFLM
datareduction
SCALA
3.2.25
datascaling
MOLREP
phasing
REFMAC
refinement
PDB_EXTRACT
3.006
dataextraction
CrystalClear
datacollection
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1HEL
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