8OGH
Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis with butylacetylphosphonate (BAP) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.462, 127.775, 79.583 |
| Unit cell angles | 90.00, 106.88, 90.00 |
Refinement procedure
| Resolution | 48.940 - 1.600 |
| R-factor | 0.1562 |
| Rwork | 0.155 |
| R-free | 0.17210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.250 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 155741 | 7495 |
| <I/σ(I)> | 15.8 | 2.2 |
| Completeness [%] | 98.2 | 95.9 |
| Redundancy | 7 | 7 |
| CC(1/2) | 0.999 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 291 | 0.1 M MES-Imidazole pH 6.3, 10% PEG 8000 , 20% Ethylene-glycol |
