7ZM2
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b
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 | 2021-07-28 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.980114 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 76.834, 87.187, 105.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.260 - 2.200 |
| R-factor | 0.1779 |
| Rwork | 0.175 |
| R-free | 0.22350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7zjt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.808 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.260 | 45.260 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.157 | 0.047 | 1.349 |
| Rmeas | 0.165 | 0.050 | 1.412 |
| Rpim | 0.048 | 0.015 | 0.413 |
| Total number of observations | 6018 | 35564 | |
| Number of reflections | 36843 | 612 | 3132 |
| <I/σ(I)> | 12.4 | 35.6 | 2.4 |
| Completeness [%] | 100.0 | 99.1 | 99.8 |
| Redundancy | 11.4 | 9.8 | 11.4 |
| CC(1/2) | 0.998 | 0.999 | 0.696 |
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 5.76% |
