6Y8L
Mycobacterium thermoresistibile GyrB21 in complex with novobiocin
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 | 43.962, 51.114, 83.205 |
| Unit cell angles | 90.00, 100.32, 90.00 |
Refinement procedure
| Resolution | 81.860 - 1.400 |
| R-factor | 0.142 |
| Rwork | 0.140 |
| R-free | 0.18130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b6c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.513 |
| 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] | 81.860 | 81.860 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.048 | 0.039 | 0.875 |
| Rmeas | 0.052 | 0.043 | 0.956 |
| Rpim | 0.020 | 0.017 | 0.380 |
| Total number of observations | 463106 | 3011 | 21837 |
| Number of reflections | 71663 | 479 | 3548 |
| <I/σ(I)> | 15.7 | 54.3 | 1.7 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 6.5 | 6.3 | 6.2 |
| CC(1/2) | 0.999 | 0.998 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | Crystals grown with 17 mg/ml protein in the presence of 1 mM novobiocin against 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 |
