Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Redundancy: 3.9 % / Av σ(I) over netI: 21.41 / Rmerge(I) obs: 0.068 / Χ2: 1.49 / D res high: 2.15 Å / D res low: 50 Å / Num. obs: 100967 / % possible obs: 98.2
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Chi squared
Redundancy
4.63
50
99.3
1
0.036
4.168
3.9
3.68
4.63
99.2
1
0.038
1.784
3.9
3.21
3.68
98.8
1
0.05
1.765
3.9
2.92
3.21
98.5
1
0.073
1.129
3.9
2.71
2.92
98.4
1
0.103
1.043
4
2.55
2.71
98
1
0.14
1.004
3.9
2.42
2.55
97.9
1
0.177
0.99
3.9
2.32
2.42
97.7
1
0.228
0.98
4
2.23
2.32
97.4
1
0.285
0.981
3.9
2.15
2.23
97.1
1
0.343
0.989
3.8
Reflection
Resolution: 2.15→50 Å / Num. all: 102794 / Num. obs: 100967 / % possible obs: 98.2 % / Redundancy: 3.9 % / Biso Wilson estimate: 29.1 Å2 / Rmerge(I) obs: 0.068 / Χ2: 1.488 / Net I/σ(I): 21.411
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. unique all
Χ2
% possible all
2.15-2.23
3.8
0.343
9921
0.989
97.1
2.23-2.32
3.9
0.285
9980
0.981
97.4
2.32-2.42
4
0.228
9984
0.98
97.7
2.42-2.55
3.9
0.177
10075
0.99
97.9
2.55-2.71
3.9
0.14
10060
1.004
98
2.71-2.92
4
0.103
10062
1.043
98.4
2.92-3.21
3.9
0.073
10111
1.129
98.5
3.21-3.68
3.9
0.05
10182
1.765
98.8
3.68-4.63
3.9
0.038
10232
1.784
99.2
4.63-50
3.9
0.036
10360
4.168
99.3
-
Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
REFMAC
refinement
PDB_EXTRACT
3.006
dataextraction
HKL-2000
datacollection
HKL-2000
datareduction
HKL-2000
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1RIQ, 1V7O
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