7ZM3
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980114 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 76.958, 87.404, 106.128 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.360 - 1.810 |
| R-factor | 0.1839 |
| Rwork | 0.182 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7zjt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.517 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.360 | 45.360 | 1.850 |
| High resolution limit [Å] | 1.810 | 9.040 | 1.810 |
| Rmerge | 0.118 | 0.034 | 1.390 |
| Rmeas | 0.122 | 0.036 | 1.449 |
| Rpim | 0.033 | 0.010 | 0.404 |
| Total number of observations | 6947 | 45791 | |
| Number of reflections | 66020 | 621 | 3704 |
| <I/σ(I)> | 16.5 | 50.1 | 2 |
| Completeness [%] | 99.8 | 99.2 | 96 |
| Redundancy | 13.4 | 11.2 | 12.4 |
| CC(1/2) | 0.999 | 0.999 | 0.638 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MES Na 0.1 M NH4SO4 1.656 M PEG400 6.88% |
