3SK2

Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans (Erwinia herbicola, Pantoea agglomerans) Eh1087 in complex with griseoluteic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	36.500, 79.770, 82.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.389 - 1.010
R-factor	0.1267
Rwork	0.126
R-free	0.14590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	dimer of the apo structure
RMSD bond length	0.022
RMSD bond angle	2.085
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.110
High resolution limit [Å]	1.010	1.010
Number of reflections	125504
<I/σ(I)>	19	4
Completeness [%]	98.5	95.5
Redundancy	4.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	292	0.1 M Na-citrate, 0.2 M ammonium acetate, 27-30% (w/v) PEG 4000, pre-incubation with 2.5 mM griseoluteic acid on ice for 1 hour, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K