7B6N

Crystal structure of MurE from E.coli in complex with Z757284952

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96862
Spacegroup name	P 1
Unit cell lengths	58.046, 57.932, 74.110
Unit cell angles	96.99, 91.40, 105.44

Refinement procedure

Resolution	55.910 - 1.790
R-factor	0.21702
Rwork	0.216
R-free	0.24283
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b53
RMSD bond length	0.008
RMSD bond angle	1.210
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.910	1.880
High resolution limit [Å]	1.790	1.790
Number of reflections	87528	12354
<I/σ(I)>	4.8
Completeness [%]	96.8
Redundancy	3.5
CC(1/2)	0.995	0.419

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	0.1M citrate pH 5.5 11.6% PEG4K 20.3% 2-propanol