9IR5

Crystal structure of apo-form UDP-N-acetylmuramic Acid L-alanine ligase (MurC) from Roseburia faecis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97919
Spacegroup name	P 21 21 2
Unit cell lengths	82.138, 107.342, 61.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.230 - 2.360
R-factor	0.1903
Rwork	0.189
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.428
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	AutoProcess
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.230	2.490
High resolution limit [Å]	2.360	2.360
Number of reflections	20564	20564
<I/σ(I)>	10.8
Completeness [%]	90.2
Redundancy	5.1
CC(1/2)	0.996	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	15%(w/v) polyethylene glycol (PEG) 20000, 100 mM HEPES/Sodium hydroxide pH7.0.