4LPS
Crystal structure of HypB from Helicobacter pylori in complex with nickel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97969 |
Spacegroup name | P 1 |
Unit cell lengths | 49.820, 50.160, 53.680 |
Unit cell angles | 102.16, 99.05, 90.65 |
Refinement procedure
Resolution | 40.150 - 2.000 |
R-factor | 0.1721 |
Rwork | 0.170 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hf9 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.093 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.152 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 33146 | |
<I/σ(I)> | 3.47 | |
Completeness [%] | 97.7 | 96.5 |
Redundancy | 3.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.0 M Malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |