5M4Z
Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | P 1 |
Unit cell lengths | 51.290, 52.780, 63.920 |
Unit cell angles | 72.47, 68.03, 61.15 |
Refinement procedure
Resolution | 28.092 - 1.179 |
R-factor | 0.1379 |
Rwork | 0.138 |
R-free | 0.15110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g9u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.086 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.092 | 1.210 |
High resolution limit [Å] | 1.179 | 1.179 |
Rmerge | 0.034 | |
Number of reflections | 172936 | |
<I/σ(I)> | 16.43 | |
Completeness [%] | 97.4 | 89 |
Redundancy | 3.61 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 0.1M NaF pH 7.1, 19% PEG 3350, 0.02% NaN3 |