3HZG
Crystal structure of mycobacterium tuberculosis thymidylate synthase X bound with FAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.553, 86.594, 162.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.300 - 2.450 |
| R-factor | 0.202 |
| Rwork | 0.198 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gwc |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.586 |
| 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] | 43.300 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.074 | 0.517 |
| Number of reflections | 41428 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 16% PEG 8000, 0.4 M KPO4, 20% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
