4XH1
Crystal structure of Salmonella typhimurium propionate kinase 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 | 2014-01-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 111.610, 111.610, 66.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.220 - 2.000 |
| R-factor | 0.18227 |
| Rwork | 0.180 |
| R-free | 0.22615 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e1y |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.953 |
| 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] | 32.220 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.507 | |
| Number of reflections | 32233 | |
| <I/σ(I)> | 17 | 4 |
| Completeness [%] | 99.0 | 98.5 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.1 M Bis-Tris pH 6.5, polyethylene glycol 2000 |
