4FGJ

Oxidized quinone reductase 2 in complex with primaquine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-18
Detector	RAYONIX MX300HE
Wavelength(s)	1.033217
Spacegroup name	P 21 21 21
Unit cell lengths	56.500, 83.000, 106.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.057 - 1.346
R-factor	0.1417
Rwork	0.141
R-free	0.16660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.255
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.057	30.057	1.420
High resolution limit [Å]	1.346	4.260	1.350
Rmerge	0.066	0.031	0.630
Total number of observations		17489	76359
Number of reflections	110793
<I/σ(I)>	10.4	19.1	1.2
Completeness [%]	99.5	98.5	98.8
Redundancy	4.8	4.7	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.7M Ammonium sulfate, 0.1M Hepes pH 7.0, vapor diffusion, hanging drop, temperature 298K