9DC8
Mtb GuaB dCBS in complex with inhibitor G1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.18057 |
| Spacegroup name | I 4 |
| Unit cell lengths | 89.586, 89.586, 85.905 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.790 - 1.600 |
| R-factor | 0.1469 |
| Rwork | 0.145 |
| R-free | 0.18920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.922 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2-3874_final) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.790 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.067 | 4.811 |
| Rmeas | 0.073 | 6.590 |
| Rpim | 0.030 | 4.477 |
| Total number of observations | 569406 | |
| Number of reflections | 98857 | 2342 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 90.5 | |
| Redundancy | 5.8 | 1.5 |
| CC(1/2) | 1.000 | 0.010 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M HEPES pH 7.5, 20% isopropanol, 10% PEG 4000 |
