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