6Y8O
Mycobacterium smegmatis GyrB 22kDa ATPase sub-domain in complex with novobiocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.962, 56.112, 50.678 |
| Unit cell angles | 90.00, 90.66, 90.00 |
Refinement procedure
| Resolution | 78.480 - 1.600 |
| R-factor | 0.1367 |
| Rwork | 0.134 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b6c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.514 |
| 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] | 78.480 | 78.480 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.110 | 0.024 | 1.071 |
| Rmeas | 0.119 | 0.026 | 1.159 |
| Rpim | 0.046 | 0.010 | 0.440 |
| Total number of observations | 387422 | 2681 | 19275 |
| Number of reflections | 58273 | 388 | 2853 |
| <I/σ(I)> | 10.4 | 47.6 | 2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.6 | 6.9 | 6.8 |
| CC(1/2) | 0.999 | 1.000 | 0.647 |
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 15% (w/v) PEG8000, 100 mM sodium acetate pH 5.6, 200 mM calcium acetate were harvested in the precipitant supplemented with 25% (v/v) ethylene glycol for cryoprotection. |
