3Q89
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with CDP
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 | 2010-05-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 186.613, 73.055, 102.272 |
| Unit cell angles | 90.00, 108.23, 90.00 |
Refinement procedure
| Resolution | 34.190 - 2.900 |
| R-factor | 0.25422 |
| Rwork | 0.252 |
| R-free | 0.29288 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q83 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.357 |
| 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] | 97.140 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.076 | 0.183 |
| Number of reflections | 29289 | |
| <I/σ(I)> | 6.9 | 6.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Crystallization | 6.8 | 298 | 0.1M Bis-Tris (pH 6.8) and 25% PEG mme 2000, Microbatch Crystallization, temperature 298K |
