5VXG

Crystal structure of Xanthomonas campestris OleA E117Q bound with Cerulenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-06-14
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03317
Spacegroup name	P 32 2 1
Unit cell lengths	90.262, 90.262, 69.416
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.550 - 2.070
R-factor	0.1802
Rwork	0.177
R-free	0.24430
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.021
RMSD bond angle	2.098
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.550	29.550	2.130
High resolution limit [Å]	2.070	9.020	2.070
Rmerge	0.081	0.022	0.804
Rmeas	0.089	0.024	0.901
Rpim	0.037	0.010	0.398
Number of reflections	20256
<I/σ(I)>	17.6
Completeness [%]	99.7	97.5	96.7
Redundancy	5.6	4.8	4.9
CC(1/2)	0.999	0.999	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	15% PEG 4000, 100 MM MANGANESE CHLORIDE, 100 MM MES PH 6.0