4U7F

Reduced quinone reductase 2 in complex with CK2 inhibitor DMAT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-09-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.120, 83.140, 106.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.935 - 1.800
R-factor	0.1879
Rwork	0.186
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.157
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.988	17.988	1.820
High resolution limit [Å]	1.730	5.460	1.730
Rmerge		0.030	0.658
Rmeas	0.086
Rpim	0.033	0.014	0.298
Total number of observations	295666	11319	33583
Number of reflections	47314
<I/σ(I)>	14.8	37.9	2.6
Completeness [%]	89.9	96	74.5
Redundancy	6.2	6.4	6

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