6B2T

Crystal structure of Xanthomonas campestris OleA H285D

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	2017-06-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.968020
Spacegroup name	P 21 21 21
Unit cell lengths	81.421, 84.996, 102.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.1759
Rwork	0.172
R-free	0.24690
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.555
Data reduction software	HKL-2000 (v705)
Data scaling software	HKL-2000 (v705)
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.180	0.086	0.628
Rmeas	0.196	0.095	0.684
Rpim	0.076	0.038	0.267
Number of reflections	18234	1024	887
<I/σ(I)>	2.7
Completeness [%]	100.0	100	99.7
Redundancy	6.6	6	6.3
CC(1/2)		0.991	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	292	16% PEG 8000, 105 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2