7ZM1
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b
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 | 2021-12-11 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.980112 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 76.865, 78.386, 92.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.140 - 2.150 |
| R-factor | 0.1829 |
| Rwork | 0.181 |
| R-free | 0.21180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7zjt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.758 |
| 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] | 47.140 | 47.140 | 2.220 |
| High resolution limit [Å] | 2.150 | 8.860 | 2.150 |
| Rmerge | 0.158 | 0.041 | 0.996 |
| Rmeas | 0.169 | 0.044 | 1.066 |
| Rpim | 0.058 | 0.016 | 0.373 |
| Total number of observations | 3615 | 20267 | |
| Number of reflections | 30915 | 521 | 2594 |
| <I/σ(I)> | 11.7 | 31.4 | 2.4 |
| Completeness [%] | 99.8 | 99.3 | 98.5 |
| Redundancy | 8.1 | 6.9 | 7.8 |
| CC(1/2) | 0.996 | 0.998 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MES Na 0.1 M NH4SO4 1.656 M PEG400 8% |
