7P2X
E.coli GyrB24 with inhibitor KOB20 (EBL2583)
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 EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.170, 49.770, 53.040 |
| Unit cell angles | 90.00, 102.11, 90.00 |
Refinement procedure
| Resolution | 51.860 - 1.600 |
| R-factor | 0.1447 |
| Rwork | 0.142 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kzn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.448 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.860 | 51.860 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.620 | 1.600 |
| Rmerge | 0.062 | 0.030 | 1.215 |
| Rmeas | 0.067 | 0.033 | 1.321 |
| Rpim | 0.025 | 0.013 | 0.512 |
| Total number of observations | 175889 | 1070 | 8518 |
| Number of reflections | 25698 | 178 | 1302 |
| <I/σ(I)> | 13.5 | 57.3 | 1.3 |
| Completeness [%] | 99.8 | 96.9 | 99.1 |
| Redundancy | 6.8 | 6 | 6.5 |
| CC(1/2) | 0.999 | 0.999 | 0.684 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 41.7% w/v PEG4000,80 mM MgCl2,100 mM Tris pH8,1 mM KOB20,4.6% DMSO |
