5VXE

Crystal structure of Xanthomonas campestris OleA E117A bound with Cerulenin

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	2015-06-14
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.03317
Spacegroup name	P 32 2 1
Unit cell lengths	89.965, 89.965, 69.577
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.660
R-factor	0.1759
Rwork	0.174
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s21
RMSD bond length	0.031
RMSD bond angle	2.757
Data reduction software	HKL-2000 (v705)
Data scaling software	HKL-2000 (v705)
Phasing software	PHASER (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	1.690
High resolution limit [Å]	1.660	4.500	1.660
Rmerge	0.077	0.057	0.865
Rmeas	0.085	0.063	0.954
Rpim	0.035	0.027	0.398
Number of reflections	38595
<I/σ(I)>	10.7		2.07
Completeness [%]	99.3	98.8	99
Redundancy	5.6	5.4	5.6
CC(1/2)		0.995	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	13% PEG 4000, 100 MM MANGANESE CHLORIDE, 100 MM MES PH 6.0