3EK6
Unique GTP-binding Pocket and Allostery of UMP Kinase from a Gram-Negative Phytopathogen Bacterium
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.963896, 0.979441 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.473, 120.098, 125.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.350 - 2.340 |
| R-factor | 0.20899 |
| Rwork | 0.207 |
| R-free | 0.24556 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.310 |
| 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] | 86.710 | 2.410 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.058 | 0.279 |
| Number of reflections | 71166 | |
| <I/σ(I)> | 16.3 | 5.5 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1M Na Citrate, 20% PEG 3350, 0.05M (NH4)2SO4, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
