3U6W
Truncated M. tuberculosis LeuA (1-425) complexed with KIV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.715, 70.566, 69.879 |
| Unit cell angles | 62.29, 81.26, 70.16 |
Refinement procedure
| Resolution | 29.260 - 2.210 |
| R-factor | 0.2284 |
| Rwork | 0.225 |
| R-free | 0.29840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hpx |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.112 | 0.278 |
| Number of reflections | 35261 | |
| <I/σ(I)> | 12.1 | 3.7 |
| Completeness [%] | 93.2 | 72.6 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.25 | 291 | Sodium citrate, PEG MME 2000, pH 6.25, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
