1PM7
RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.448 |
| Spacegroup name | P 32 |
| Unit cell lengths | 66.066, 66.066, 87.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.800 - 2.200 |
| R-factor | 0.21102 |
| Rwork | 0.207 |
| R-free | 0.28339 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.682 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.800 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.423 |
| Number of reflections | 21690 | |
| <I/σ(I)> | 1.8 | 1.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 298 | 20% PEG 8K, 0.2M calcium acetate, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
