6OZ6

Crystal structure of MraY bound to 3'-hydroxymureidomycin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	94.879, 129.979, 130.156
Unit cell angles	90.00, 109.38, 90.00

Refinement procedure

Resolution	73.717 - 3.700
R-factor	0.2585
Rwork	0.257
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ckr
RMSD bond length	0.004
RMSD bond angle	0.700
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.717	3.832
High resolution limit [Å]	3.700	3.700
Number of reflections	31974	2414
<I/σ(I)>	3.55
Completeness [%]	91.2
Redundancy	15.4
CC(1/2)	0.971	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290	20% polyethylene glycol, 0.2 M ammonium thiocyanate, 0.1 M sodium acetate pH 4.6