7P2N
E.coli GyrB24 with inhibitor LSJ38 (EBL2684)
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 | 2019-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.606, 50.326, 52.652 |
| Unit cell angles | 90.00, 102.41, 90.00 |
Refinement procedure
| Resolution | 33.940 - 1.160 |
| R-factor | 0.1431 |
| Rwork | 0.142 |
| R-free | 0.17010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kzn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.634 |
| Data reduction software | xia2 |
| 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] | 34.500 | 34.500 | 1.180 |
| High resolution limit [Å] | 1.160 | 6.350 | 1.160 |
| Rmerge | 0.070 | 0.034 | 1.128 |
| Rmeas | 0.076 | 0.037 | 1.261 |
| Rpim | 0.030 | 0.014 | 0.548 |
| Total number of observations | 2738 | 17221 | |
| Number of reflections | 67664 | 440 | 3328 |
| <I/σ(I)> | 10.2 | 42 | 1.4 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 6.3 | 6.2 | 5.2 |
| CC(1/2) | 0.999 | 0.999 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 34% PEG4000,100mMtris pH8,95mM MgCl2 |
