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 |