5VXD

Crystal structure of Xanthomonas campestris OleA E117A

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	2014-10-30
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	82.393, 85.988, 103.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.968
R-factor	0.1711
Rwork	0.169
R-free	0.21410
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ku3
RMSD bond length	0.027
RMSD bond angle	2.410
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	1.990
High resolution limit [Å]	1.960	5.320	1.968
Rmerge	0.101	0.050	0.714
Rmeas	0.117	0.058	0.827
Rpim	0.058	0.029	0.414
Number of reflections	52682	2793	2599
<I/σ(I)>	11.8		2
Completeness [%]	99.9	97.6	100
Redundancy	4	3.7	4
CC(1/2)	0.998	0.995	0.581

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