5ZB4
Crystal structure of thymidylate kinase in complex with ADP and TMP from thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-07-28 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.170, 47.474, 152.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.740 - 1.920 |
| R-factor | 0.19052 |
| Rwork | 0.188 |
| R-free | 0.23268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x7j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.684 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.740 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.064 | 0.168 |
| Number of reflections | 26814 | |
| <I/σ(I)> | 15.75 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7 | |
| CC(1/2) | 0.998 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 295 | 0.2M CaCl2.2H2O, 20% w/v PEG 3350 |
