6BQE

Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.

Replaces:  5JOT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 43 2 2
Unit cell lengths	95.708, 95.708, 187.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.729 - 3.200
R-factor	0.2393
Rwork	0.237
R-free	0.28810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.405
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.880	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.339	0.764
Rmeas		0.926
Rpim	0.224	0.516
Number of reflections	15009	2652
<I/σ(I)>	5	1.9
Completeness [%]	99.7	100
Redundancy	5.2	5.3
CC(1/2)	0.944	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	291	PEG 3350, 0.2 M ammonium acetate, 0.1 M TRIS pH 8.2