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 |