7EN5

The crystal structure of Escherichia coli MurR in complex with N-acetylglucosamine-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-14
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.9785
Spacegroup name	I 2 2 2
Unit cell lengths	58.257, 72.751, 82.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.881 - 1.250
R-factor	0.1985
Rwork	0.198
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ivn
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.144	0.519
Rmeas	0.154	0.540
Rpim	0.053	0.147
Number of reflections	48028	4718
<I/σ(I)>	13.6	4
Completeness [%]	98.9	97.7
Redundancy	11.3	13.1
CC(1/2)	0.996	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	20% v/v 2-Propanol, 0.1 M Tris pH 8.0, 5% w/v Polyethylene glycol 8,000