4KU5

Crystal Structures of C143S Xanthomonas campestris OleA with Bound Lauric Acid and Lauroyl-CoA

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	IMAGE PLATE
Collection date	2012-11-04
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03
Spacegroup name	P 21 21 21
Unit cell lengths	82.204, 85.379, 102.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.006 - 2.170
R-factor	0.1612
Rwork	0.159
R-free	0.20310
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3row
RMSD bond length	0.006
RMSD bond angle	1.187
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.170	2.170
Rmerge	0.011	0.575
Number of reflections	263108
<I/σ(I)>	18.2	3.5
Completeness [%]	100.0	100
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	18% PEG 8000, 80 mM potassium phosphate dibasic, 100 mM sodium citrate , pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K