6OYZ

Crystal structure of MraY bound to capuramycin

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	2018-03-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 1 21 1
Unit cell lengths	93.759, 128.067, 129.516
Unit cell angles	90.00, 110.82, 90.00

Refinement procedure

Resolution	87.637 - 3.620
R-factor	0.2777
Rwork	0.277
R-free	0.30080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ckr
RMSD bond length	0.005
RMSD bond angle	0.750
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]	87.640	3.749
High resolution limit [Å]	3.620	3.620
Number of reflections	32765	3244
<I/σ(I)>	10.25
Completeness [%]	100.0
Redundancy	15.2
CC(1/2)	0.989	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	18% polyethylene glycol 4000, 0.4 M ammonium thiocyanate, 0.1 M sodium acetate pH 4.6