4F4I
Crystal structure of Thymidylate Kinase from Staphylococcus aureus in apo-form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.099, 91.022, 47.498 |
| Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.450 |
| R-factor | 0.19643 |
| Rwork | 0.194 |
| R-free | 0.24162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dwj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.493 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.100 | 0.290 |
| Number of reflections | 12948 | |
| <I/σ(I)> | 13.6 | 4 |
| Completeness [%] | 99.5 | 94.5 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Magnesium Chloride, 0.1 M Hepes, 25 % PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
