7EN6

The crystal structure of Escherichia coli MurR in apo form

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	2016-10-24
Detector	AGILENT ATLAS CCD
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	61.558, 77.583, 144.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.792 - 2.276
R-factor	0.1929
Rwork	0.189
R-free	0.26330
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	2.310
High resolution limit [Å]	2.270	2.270
Rmerge	0.079	0.568
Rmeas	0.082	0.594
Rpim	0.023	0.169
Number of reflections	32333	1549
<I/σ(I)>	27.7	2.6
Completeness [%]	99.8	99.8
Redundancy	12.5	11.8
CC(1/2)		0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M L-proline, 0.1 M HEPES pH 7.5, 10% w/v polyethylene glycol 3,350