5VXI

Crystal structure of Xanthomonas campestris OleA E117D bound with Cerulenin

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 32 2 1
Unit cell lengths	89.765, 89.765, 69.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.080
R-factor	0.1741
Rwork	0.171
R-free	0.22890
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3s21
RMSD bond length	0.025
RMSD bond angle	2.306
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	2.120
High resolution limit [Å]	2.080	5.640	2.080
Rmerge	0.143	0.081	0.720
Rmeas	0.151	0.086	0.759
Rpim	0.047	0.028	0.237
Number of reflections	19937
<I/σ(I)>	11.8
Completeness [%]	98.8	90.2	100
Redundancy	10.3	9.4	10
CC(1/2)		0.991	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	12% PEG 4000, 70 MM MANGANESE CHLORIDE, 100 MM MES PH 6.0