9D9M

Crystal structure of MurC from Pseudomonas aeruginosa in complex (sulfate bound)

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	108.328, 108.328, 264.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.440 - 2.320
R-factor	0.1983
Rwork	0.198
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.822
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]	132.450	2.380
High resolution limit [Å]	2.320	2.320
Rmerge	0.113	2.274
Rmeas	0.116	2.352
Rpim	0.029	0.596
Total number of observations	535069	38644
Number of reflections	33441	2510
<I/σ(I)>	17.1	1.6
Completeness [%]	96.6
Redundancy	16	15.4
CC(1/2)	0.999	0.777

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. plate 14333 well B8 drop 1. Puck: PSL-1111, Cryo: 2.5M ammonium sulfate