7B9W

Crystal structure of MurE from E.coli in complex with Z757284380

This is a non-PDB format compatible entry.

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	58.409, 58.621, 74.438
Unit cell angles	97.11, 91.54, 104.84

Refinement procedure

Resolution	56.340 - 1.820
Rwork	0.193
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b53
RMSD bond length	0.008
RMSD bond angle	1.505
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.360	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.074	1.619
Rmeas	0.088	1.930
Rpim	0.048
Number of reflections	88411	11841
<I/σ(I)>	8.9	0.3
Completeness [%]	97.6	96.3
Redundancy	3.3	3.4
CC(1/2)	0.998	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	0.1M citrate pH 5.5 11.9% PEG4K 20.1% 2-propanol