7EN7

The crystal structure of Escherichia coli MurR in complex with N-acetylmuramic-acid-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	2019-06-24
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.9785
Spacegroup name	I 2 2 2
Unit cell lengths	58.411, 72.759, 81.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.206 - 1.220
R-factor	0.1541
Rwork	0.153
R-free	0.16920
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	1.260
High resolution limit [Å]	1.220	1.220
Rmerge	0.104	0.828
Rmeas	0.108	0.864
Rpim	0.030	0.245
Number of reflections	58134	5733
<I/σ(I)>	23	2
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.982	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.02 M Citric acid, 0.08 M BIS-TRIS propane pH 8.8, 16% w/v Polyethylene glycol 3,350