3V1T
Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 1.9 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-12-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.388, 57.594, 71.488 |
| Unit cell angles | 99.24, 102.98, 117.04 |
Refinement procedure
| Resolution | 66.390 - 1.880 |
| R-factor | 0.1834 |
| Rwork | 0.180 |
| R-free | 0.25250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q6i |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.833 |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0095) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.392 | 19.627 | 1.980 |
| High resolution limit [Å] | 1.876 | 5.930 | 1.880 |
| Rmerge | 0.033 | 0.372 | |
| Rmeas | 0.047 | 0.527 | |
| Rpim | 0.033 | 0.372 | |
| Total number of observations | 3602 | 12261 | |
| Number of reflections | 56389 | ||
| <I/σ(I)> | 8 | 20.3 | 1.7 |
| Completeness [%] | 91.0 | 95.9 | 73.3 |
| Redundancy | 1.9 | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 300 | 45%(v/v) polypropylene glycol, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
