6B2S

Crystal structure of Xanthomonas campestris OleA H285N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-19
Detector	PSI PILATUS 6M
Wavelength(s)	1.03322
Spacegroup name	P 21 21 21
Unit cell lengths	81.517, 85.077, 103.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.720 - 2.000
R-factor	0.1668
Rwork	0.164
R-free	0.21820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3row
RMSD bond length	0.024
RMSD bond angle	2.258
Data reduction software	XDS
Data scaling software	Aimless (0.5.14)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.720	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.068	0.506
Rmeas	0.077	0.581
Rpim	0.036	0.280
Number of reflections	48443	3318
<I/σ(I)>	16
Completeness [%]	98.9	92.6
Redundancy	4.3	3.8
CC(1/2)	0.998	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	292	18% PEG 8000, 100 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2