5VXH

Crystal structure of Xanthomonas campestris OleA E117D

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	2017-02-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.02235
Spacegroup name	P 21 21 21
Unit cell lengths	81.876, 85.409, 102.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.840
R-factor	0.1602
Rwork	0.158
R-free	0.19800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3row
RMSD bond length	0.027
RMSD bond angle	2.448
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	1.870
High resolution limit [Å]	1.840	4.990	1.840
Rmerge	0.088	0.034	0.975
Rmeas	0.092	0.037
Rpim	0.035	0.015	0.400
Number of reflections	63324
<I/σ(I)>	11.7
Completeness [%]	100.0	99.5	100
Redundancy	7.3	6.7	6.9
CC(1/2)		0.999	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	292	14% PEG 8000, 100 mM potassium phosphate dibasic, 100 mM sodium citrate pH 4.2