3MK5
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase domain from Mycobacterium tuberculosis with sulfate and zinc at pH 4.00
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-02-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 65.442, 65.442, 87.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.690 - 2.060 |
| R-factor | 0.19376 |
| Rwork | 0.192 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mgz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.433 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.047 | 0.293 |
| Number of reflections | 13240 | |
| <I/σ(I)> | 48.7 | 5.7 |
| Completeness [%] | 98.7 | 87.2 |
| Redundancy | 7.3 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.1M Na Acetate, 15% PEG 4000, 0.4M ammonium sulfate, pH 4.00, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
