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 |