3HA2

Crystal Structure of Protein (NADPH-quinone reductase) from P.pentosaceus, Northeast Structural Genomics Consortium Target PtR24A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	65.740, 65.740, 183.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 1.800
R-factor	0.19941
Rwork	0.198
R-free	0.22793
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.219
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.059	0.830
Number of reflections	74707
<I/σ(I)>	65	2.7
Completeness [%]	97.8	83.8
Redundancy	11.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	14% PEG4K 0.1M bis-tris 0.1M MgSO4, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K