3Q86
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-05-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 |
| Unit cell lengths | 75.302, 75.302, 154.712 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.650 - 2.380 |
| R-factor | 0.16877 |
| Rwork | 0.166 |
| R-free | 0.22011 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q83 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.926 |
| 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] | 37.650 | 2.480 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.030 | 0.081 |
| Number of reflections | 13104 | |
| <I/σ(I)> | 46.4 | 20.4 |
| Completeness [%] | 96.8 | 78.5 |
| Redundancy | 7.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Crystallization | 5 | 298 | 0.1M Mgacetate, 0.1M citric acid, pH 5, 14% PEG 8000 , Microbatch Crystallization, temperature 298K |
