7P2M
E.coli GyrB24 with inhibitor LMD43 (EBL2560)
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 | 2019-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.647, 50.330, 52.697 |
| Unit cell angles | 90.00, 102.25, 90.00 |
Refinement procedure
| Resolution | 41.810 - 1.160 |
| R-factor | 0.1349 |
| Rwork | 0.134 |
| R-free | 0.16120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kzn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.578 |
| 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] | 51.500 | 51.500 | 1.180 |
| High resolution limit [Å] | 1.160 | 6.350 | 1.160 |
| Rmerge | 0.064 | 0.038 | 1.387 |
| Rmeas | 0.070 | 0.041 | 1.528 |
| Rpim | 0.027 | 0.016 | 0.631 |
| Total number of observations | 2769 | 17809 | |
| Number of reflections | 65952 | 443 | 3124 |
| <I/σ(I)> | 12.5 | 52.3 | 1.1 |
| Completeness [%] | 97.2 | 99.9 | 93 |
| Redundancy | 6.6 | 6.3 | 5.7 |
| CC(1/2) | 0.999 | 0.998 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 33% PEG4000,100mM tris pH8,75mM MgCl2 1.2mM LMD43, cryo +17.5% glycerol |
