3JYN

Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase complexed with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	63.317, 63.317, 130.374
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	9.960 - 2.010
R-factor	0.20636
Rwork	0.205
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qor
RMSD bond length	0.005
RMSD bond angle	1.088
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.960	2.080
High resolution limit [Å]	2.010	2.010
Rmerge	0.097	0.580
Number of reflections	20534
<I/σ(I)>	22	3.33
Completeness [%]	100.0	100
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1M Tris-HCl(pH 8.5), 0.2M MgCl2, 30%PEG4000, 12mM NADPH, VAPOR DIFFUSION, SITTING DROP, temperature 291K