6B2R

Crystal structure of Xanthomonas campestris OleA H285A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-22
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.02235
Spacegroup name	P 21 21 21
Unit cell lengths	82.176, 85.609, 103.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.770
R-factor	0.1766
Rwork	0.175
R-free	0.20910
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3row
RMSD bond length	0.026
RMSD bond angle	2.373
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	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.094	0.038	0.877
Rmeas	0.102	0.041	0.970
Rpim	0.038	0.016	0.406
Number of reflections	71384	3769	3483
<I/σ(I)>	15.8
Completeness [%]	99.7	97.9	98.1
Redundancy	6.8	6.7	5.6
CC(1/2)		0.998	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	292	18% PEG 8000, 110 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2