3GWC
Crystal structure of Mycobacterium tuberculosis thymidylate synthase X bound to FdUMP and FAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Wavelength(s) | 0.97, 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.044, 78.447, 168.959 |
| Unit cell angles | 90.00, 96.80, 90.00 |
Refinement procedure
| Resolution | 48.700 - 1.900 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.459 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.105 | 0.709 |
| Number of reflections | 151930 | |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 91.9 | 82.6 |
| Redundancy | 4.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 16% PEG 8000, 0.4 M KPO4, 20% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
