3Q8V
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-06-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 186.665, 72.916, 102.144 |
| Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
| Resolution | 32.300 - 2.500 |
| R-factor | 0.23296 |
| Rwork | 0.230 |
| R-free | 0.28286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q83 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.526 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.120 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.333 |
| Number of reflections | 45083 | |
| <I/σ(I)> | 11.6 | 4.8 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Crystallization | 7.2 | 298 | 0.1M Bis-Tris, pH 7.2, 30% PEG 3350, Microbatch Crystallization , temperature 298K |
