6YD9
Ecoli GyrB24 with inhibitor 16a
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 | 2019-09-20 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.180, 67.143, 68.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.380 - 1.600 |
R-factor | 0.1836 |
Rwork | 0.182 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f86 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.590 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.180 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.190 | 1.160 |
Rmeas | 0.202 | 1.234 |
Number of reflections | 25674 | 1062 |
<I/σ(I)> | 7.2 | 1.8 |
Completeness [%] | 98.9 | 86 |
Redundancy | 12.7 | |
CC(1/2) | 0.993 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.1 M MIB pH 4.0; 25 % (w/v) PEG 1500 |