3PI7

Crystal structure of a putative NADPH:quinone reductase (mll3093) from Mesorhizobium loti at 1.71 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97864
Spacegroup name	C 1 2 1
Unit cell lengths	140.301, 39.969, 56.173
Unit cell angles	90.00, 90.34, 90.00

Refinement procedure

Resolution	28.086 - 1.710
R-factor	0.1724
Rwork	0.170
R-free	0.20880
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.086	28.086	1.770
High resolution limit [Å]	1.710	3.680	1.710
Rmerge	0.070	0.026	0.550
Number of reflections	33108	6232	6130
<I/σ(I)>	9.01	22.9	1.9
Completeness [%]	92.9	94	94.5
Redundancy	3.64

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.76	293	0.7270M di-sodium hydrogen phosphate, 0.3360M di-potassium hydrogen phosphate, 0.1M sodium acetate pH 4.76, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K