3Q83
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase
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 | 2009-11-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 91.615, 91.615, 176.876 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.810 - 2.500 |
| R-factor | 0.21537 |
| Rwork | 0.213 |
| R-free | 0.26863 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jxv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.539 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.360 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.156 | 0.380 |
| Number of reflections | 30434 | |
| <I/σ(I)> | 7.5 | 3.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Micobatch Crystallization | 4.6 | 298 | 0.1M MgCl2, 0.1M Na-Acetate, pH 4.6, 20% PEG 2000, Micobatch Crystallization, temperature 298K |
