2CCK
CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-18 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.260, 89.880, 50.150 |
| Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
| Resolution | 22.710 - 2.210 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.040 | 0.090 |
| Number of reflections | 19676 | |
| <I/σ(I)> | 50.1 | 18 |
| Completeness [%] | 95.6 | 78 |
| Redundancy | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 1M LICL, 0.1M NA CACODYLATE, PH7.2, 16% PEG 6000, pH 7.20 |
