3Q8Y
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with ADP and Vanadate
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 | 2010-10-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.73550 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.910, 71.367, 160.080 |
| Unit cell angles | 90.00, 108.04, 90.00 |
Refinement procedure
| Resolution | 51.670 - 2.700 |
| R-factor | 0.25181 |
| Rwork | 0.251 |
| R-free | 0.27077 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q83 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.417 |
| 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] | 60.490 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.150 | 0.462 |
| Number of reflections | 35635 | |
| <I/σ(I)> | 5.6 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Crystallization | 8.5 | 298 | 0.1M Tris-Cl (pH 8.5), 20% PEG 3350, Microbatch Crystallization, temperature 298K |
