4XH4
Crystal structure of Salmonella typhimurium propionate kinase A88V 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 | 110.960, 110.960, 66.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.030 - 1.800 |
| R-factor | 0.18668 |
| Rwork | 0.185 |
| R-free | 0.22373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1y |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.978 |
| Data reduction software | iMOSFLM (1.0.7) |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.030 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.481 | |
| Number of reflections | 42396 | |
| <I/σ(I)> | 17.5 | 2.7 |
| Completeness [%] | 96.9 | 95.6 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1 M Bis-Tris, 30% pentaerythritol ethoxylate, 0.05 M ammonium sulphate |
