4XFW
Crystal structure of the monoclinic form of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-05 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.906, 95.905, 53.318 |
| Unit cell angles | 90.00, 92.92, 90.00 |
Refinement procedure
| Resolution | 47.953 - 1.517 |
| R-factor | 0.1711 |
| Rwork | 0.170 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g7a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.152 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.960 | 1.620 |
| High resolution limit [Å] | 1.517 | 1.517 |
| Rmerge | 0.037 | 0.382 |
| Number of reflections | 67218 | |
| <I/σ(I)> | 18.5 | 3 |
| Completeness [%] | 96.7 | 85.8 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Sodium Nitrate, 0.1 M Bis Tris propane pH 8.5 and 20% (w/v) PEG 3350 |
