8CXR

Crystal structure of MraY bound to a sphaerimicin analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	93.884, 127.704, 130.150
Unit cell angles	90.00, 111.39, 90.00

Refinement procedure

Resolution	87.905 - 3.650
R-factor	0.251
Rwork	0.249
R-free	0.29460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oyz
RMSD bond length	0.002
RMSD bond angle	0.525
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]	87.905	3.780
High resolution limit [Å]	3.650	3.650
Number of reflections	31954	3174
<I/σ(I)>	8.19
Completeness [%]	99.5
Redundancy	6.6
CC(1/2)	0.994	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	18% polyethylene glycol 4000, 0.2 M ammonium thiocyanate, 0.1 M sodium acetate pH 4.6