3KWL
Crystal structure of a hypothetical protein from Helicobacter pylori
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-29 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97960 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.623, 95.099, 65.048 |
Unit cell angles | 90.00, 109.14, 90.00 |
Refinement procedure
Resolution | 30.730 - 1.940 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21900 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.183 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.940 | 4.200 | 1.950 |
Rmerge | 0.091 | 0.067 | 0.426 |
Number of reflections | 39957 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 99.5 | 99.7 | 96 |
Redundancy | 7.3 | 7.5 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 22% PEG3350, 0.2M MgCl2, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |