2CCJ
Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.740, 90.130, 50.250 |
| Unit cell angles | 90.00, 100.50, 90.00 |
Refinement procedure
| Resolution | 20.860 - 1.700 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.210 |
| Number of reflections | 43797 | |
| <I/σ(I)> | 43.9 | 7.1 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 1M LICL, 0.1M NA CACODYLATE PH 7.2, 18% PEG 6000 |
