9D9K
Crystal structure of MurC from Pseudomonas aeruginosa in complex with inhibitor M17
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-08-03 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9786 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 108.711, 108.711, 265.044 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.560 - 2.630 |
R-factor | 0.2062 |
Rwork | 0.205 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.825 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_5156: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 132.520 | 2.700 |
High resolution limit [Å] | 2.630 | 2.630 |
Rmerge | 0.237 | 3.104 |
Rmeas | 0.245 | 3.211 |
Rpim | 0.065 | 0.815 |
Total number of observations | 338789 | 26567 |
Number of reflections | 24139 | 1754 |
<I/σ(I)> | 10.7 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 14 | 15.1 |
CC(1/2) | 0.998 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.50 M ammonium sulfate, 0.1 M HEPES pH 7.5. PsaeA.00137.b.B5.PW37941 at 22.5 mg/mL. Overnight soak with 5mM compound M17 in 1.0 M ammonium sulfate, 0.1M Hepes 7.5. plate 14333 well B8 drop 1. Puck: PSL-1208, Cryo: 2.5M ammonium sulfate + 5mM M17 |