- PDB-3hg9: CRYSTAL STRUCTURE OF putative pilM protein from Pseudomonas aerug... -
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Basic information
Entry
Database: PDB / ID: 3hg9
Title
CRYSTAL STRUCTURE OF putative pilM protein from Pseudomonas aeruginosa 2192
Components
PilM
Keywords
structural genomics / unknown function / PROTEIN STRUCTURE INITIATIVE / NEW YORK STRUCTURAL GENOMIX RESEARCH CONSORTIUM / NYSGXRC / pilM protein / PSI-2 / New York SGX Research Center for Structural Genomics
Type: MAR CCD 165 mm / Detector: CCD / Date: Oct 30, 2006
Radiation
Protocol: SINGLE WAVELENGTH / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9791 Å / Relative weight: 1
Reflection
Redundancy: 10 % / Av σ(I) over netI: 30.54 / Number: 248012 / Rmerge(I) obs: 0.101 / Χ2: 1.76 / D res high: 2.4 Å / D res low: 50 Å / Num. obs: 24848 / % possible obs: 95.1
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
% possible obs (%)
ID
Rmerge(I) obs
Chi squared
Redundancy
5.17
50
99.4
1
0.057
2.938
11.2
4.1
5.17
100
1
0.068
2.819
11.6
3.58
4.1
96.3
1
0.113
3.199
8.9
3.26
3.58
98.3
1
0.156
1.936
11.1
3.02
3.26
100
1
0.18
1.164
11.8
2.85
3.02
100
1
0.259
0.98
11.7
2.7
2.85
100
1
0.38
0.91
11
2.59
2.7
98.2
1
0.492
0.925
8.7
2.49
2.59
92.6
1
0.577
0.937
6.6
2.4
2.49
66.5
1
0.551
1.037
5.4
Reflection twin
Crystal-ID
ID
Operator
Domain-ID
Fraction
1
1
H, K, L
1
0.503
1
1
-H-K, K, -L
2
0.497
Reflection
Resolution: 2.4→50 Å / Num. obs: 24848 / % possible obs: 95.1 % / Redundancy: 10 % / Rmerge(I) obs: 0.101 / Χ2: 1.761 / Net I/σ(I): 30.543
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. unique all
Χ2
Diffraction-ID
% possible all
2.4-2.49
5.4
0.551
1756
1.037
1
66.5
2.49-2.59
6.6
0.577
2393
0.937
1
92.6
2.59-2.7
8.7
0.492
2582
0.925
1
98.2
2.7-2.85
11
0.38
2590
0.91
1
100
2.85-3.02
11.7
0.259
2608
0.98
1
100
3.02-3.26
11.8
0.18
2615
1.164
1
100
3.26-3.58
11.1
0.156
2585
1.936
1
98.3
3.58-4.1
8.9
0.113
2479
3.199
1
96.3
4.1-5.17
11.6
0.068
2612
2.819
1
100
5.17-50
11.2
0.057
2628
2.938
1
99.4
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Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
REFMAC
refinement
PDB_EXTRACT
3.005
dataextraction
HKL-2000
datareduction
SHELXS
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.4→50 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.924 / WRfactor Rfree: 0.221 / WRfactor Rwork: 0.209 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.733 / SU B: 16.433 / SU ML: 0.185 / SU R Cruickshank DPI: 0.088 / SU Rfree: 0.058 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.088 / ESU R Free: 0.058 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: U VALUES : RESIDUAL ONLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.267
610
5 %
RANDOM
Rwork
0.235
-
-
-
obs
0.236
12250
92.68 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
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