4KU3

Crystal Structure of C143S Xanthomonas Campestris OleA bound with myristic acid and myrisotoyl-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 - 1.970
R-factor	0.1565
Rwork	0.154
R-free	0.19620
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3row
RMSD bond length	0.010
RMSD bond angle	1.202
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	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.077	0.522
Number of reflections	51928
<I/σ(I)>	23.9	4.3
Completeness [%]	100.0	100
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298	15% PEG 8000, 80 mM potassium phosphate dibasic, 100 mM sodium citrate , pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K