4FQS
Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
Experimental procedure
| Experimental method | Single |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.099, 57.045, 113.694 |
| Unit cell angles | 90.00, 107.95, 90.00 |
Refinement procedure
| Resolution | 21.878 - 1.800 |
| R-factor | 0.1574 |
| Rwork | 0.155 |
| R-free | 0.19890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.168 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 55678 |
| Completeness [%] | 75.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Tris pH 7.0, 200 mM NaCl, and 30% polyethylene glycol 3K, vapor diffusion, hanging drop, temperature 298K |
