6Z1A
Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-23 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 61 |
| Unit cell lengths | 92.592, 92.592, 405.464 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.320 - 2.300 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21670 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2xcs |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.636 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC (5.8.0258) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.090 | 81.090 | 2.340 |
| High resolution limit [Å] | 2.300 | 12.170 | 2.300 |
| Rmerge | 0.193 | 0.036 | 2.017 |
| Rmeas | 0.198 | 0.037 | 2.085 |
| Rpim | 0.043 | 0.008 | 0.520 |
| Total number of observations | 12139 | 70928 | |
| Number of reflections | 86845 | 618 | 4546 |
| <I/σ(I)> | 11.7 | 51.6 | 1.4 |
| Completeness [%] | 100.0 | 100 | 99.5 |
| Redundancy | 20.2 | 19.6 | 15.6 |
| CC(1/2) | 0.998 | 1.000 | 0.557 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | NULL |
