9LC9
Crystal structure of mycothione reductase from Mycobacterium abscessus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 61 |
| Unit cell lengths | 153.461, 153.461, 99.854 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.225 - 2.001 |
| R-factor | 0.1862 |
| Rwork | 0.185 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 132.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 90112 | 13093 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 18.4 | |
| CC(1/2) | 0.970 | 0.438 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2 M NaCl, 0.1 M Bis Tris-HCl pH 6.1, 22% w/v Polyethylene glycol 3350 |
