6Y8N
Mycobacterium thermoresistibile GyrB21 in complex with Redx03863
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.769, 51.666, 82.911 |
| Unit cell angles | 90.00, 100.25, 90.00 |
Refinement procedure
| Resolution | 43.690 - 1.500 |
| R-factor | 0.1515 |
| Rwork | 0.149 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b6c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.659 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.670 | 51.670 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.062 | 0.035 | 1.455 |
| Rmeas | 0.067 | 0.038 | 1.588 |
| Rpim | 0.026 | 0.015 | 0.626 |
| Total number of observations | 374604 | 2471 | 18170 |
| Number of reflections | 58503 | 397 | 2863 |
| <I/σ(I)> | 12.5 | 43.8 | 1.2 |
| Completeness [%] | 100.0 | 99.6 | 99.9 |
| Redundancy | 6.4 | 6.2 | 6.3 |
| CC(1/2) | 0.999 | 0.999 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM zinc chloride, 100 mM ammonium acetate, 3.5-5% (w/v) PEG6000, 3.5-5% (w/v) PEG8000, 3.5-5% (w/v) PEG1000 and 100 mM Bis-Tris pH 7.0-7.3 |
