5FUX
catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 114.760, 114.760, 104.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 114.760 - 2.200 |
| R-factor | 0.18853 |
| Rwork | 0.188 |
| R-free | 0.19710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fuv |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.076 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.920 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | 1.220 |
| Number of reflections | 36045 | |
| <I/σ(I)> | 18.9 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M HEPES PH 7.0, 0.9 M SUCCINIC ACID, 1% (W/V) PEG 2K MME, 1 MM TMP, 1 MM APPNHP, 3 MM MGCL2 |
