3Q8U
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with ADP
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 | 2010-05-19 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.270, 103.065, 127.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.520 - 2.220 |
| R-factor | 0.18389 |
| Rwork | 0.180 |
| R-free | 0.25846 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q83 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.000 |
| 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] | 34.520 | 2.330 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.050 | 0.208 |
| Number of reflections | 44437 | |
| <I/σ(I)> | 16.1 | 5.6 |
| Completeness [%] | 97.4 | 89.2 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Crystallization | 6.5 | 298 | 0.1M Bis-Tris, 6.5, 25% PEG 2000, Microbatch Crystallization, temperature 298K |
