3MIO
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase domain from Mycobacterium tuberculosis at pH 6.00
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97372 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.784, 51.316, 95.407 |
| Unit cell angles | 90.00, 112.76, 90.00 |
Refinement procedure
| Resolution | 43.990 - 1.800 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.23349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mgz |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.437 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 | 0.363 |
| Number of reflections | 37031 | |
| <I/σ(I)> | 20 | 3.5 |
| Completeness [%] | 96.4 | 78.8 |
| Redundancy | 5.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% PEG 3350, 0.1M potassium phosphate(pH 6.00), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
