6OYH

Crystal structure of MraY bound to carbacaprazamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	93.888, 129.578, 129.428
Unit cell angles	90.00, 109.33, 90.00

Refinement procedure

Resolution	43.941 - 2.950
R-factor	0.2494
Rwork	0.248
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ckr
RMSD bond length	0.005
RMSD bond angle	0.789
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]	43.941	3.055
High resolution limit [Å]	2.950	2.950
Rpim	0.079	0.636
Number of reflections	61002	5579
<I/σ(I)>	12.86
Completeness [%]	98.7
Redundancy	4.3
CC(1/2)	0.892	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	290	22% polyethylene glycol 4000, 0.2 M potassium thiocyanate, 0.1 M sodium acetate pH 4.6