4XH5
Crystal structure of Salmonella typhimurium propionate kinase A88G mutant, in complex with AMPPNP and propionate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.000, 111.000, 66.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.590 - 2.110 |
| R-factor | 0.17746 |
| Rwork | 0.175 |
| R-free | 0.23068 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1y |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.856 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.590 | 2.230 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.501 | |
| Number of reflections | 27037 | |
| <I/σ(I)> | 9.5 | 3.2 |
| Completeness [%] | 99.0 | 95.9 |
| Redundancy | 5.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1M Bis-Tris pH 6.5, 30% pentaerythritol ethoxylate, 0.05M ammonium sulphate |
