29ZM

Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (MurC) from Pseudomonas aeruginosa in complex with compound OSA_001175 (WYH77)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-03-21
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	60.830, 98.790, 194.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.600 - 2.400
R-factor	0.19529
Rwork	0.192
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.401
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.600	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.153	2.299
Rmeas	0.162	2.419
Rpim	0.051	0.746
Total number of observations		46008
Number of reflections	46580	4510
<I/σ(I)>	11.8	1.1
Completeness [%]	99.8
Redundancy	9.8	10.2
CC(1/2)	0.998	0.395

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1 M Sodium HEPES pH 7.5, 28% (w/v) PEG 400, 0.2 M Calcium chloride dihydrate