7P2W
E.coli GyrB24 with inhibitor LMD92 (EBL2682)
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 | 2019-05-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.820, 52.620, 81.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.240 - 1.650 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.22110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kzn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.522 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.620 | 52.620 | 1.680 |
| High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
| Rmerge | 0.196 | 0.048 | 2.294 |
| Rmeas | 0.205 | 0.050 | 2.382 |
| Rpim | 0.057 | 0.014 | 0.639 |
| Total number of observations | 2249 | 17285 | |
| Number of reflections | 26432 | 207 | 1263 |
| <I/σ(I)> | 9.4 | 37.1 | 1.2 |
| Completeness [%] | 99.8 | 99.8 | 99.8 |
| Redundancy | 12.9 | 10.9 | 13.7 |
| CC(1/2) | 0.997 | 0.999 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 34% PEG4K, IOOmMTris pH8, 128mM MgC12 |
