3EK5
Unique GTP-binding Pocket and Allostery of UMP Kinase from a Gram-Negative Phytopathogen Bacterium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.634, 119.638, 125.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.300 - 2.560 |
| R-factor | 0.20858 |
| Rwork | 0.206 |
| R-free | 0.25157 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ek6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.382 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.390 | 2.650 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.063 | 0.504 |
| Number of reflections | 55392 | 5439 |
| <I/σ(I)> | 23.7 | 3.3 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 5.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1M Na Citrate, 19.5% PEG 3350, 0.05M (NH4)2SO4, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
