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 |
