4ZVN

Reduced quinone reductase 2 in complex with acridine orange

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-10-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	56.640, 82.860, 106.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.510 - 1.866
R-factor	0.162
Rwork	0.160
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr2
RMSD bond length	0.009
RMSD bond angle	1.129
Data reduction software	MOSFLM (7.1.0)
Data scaling software	SCALA (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.510	19.510	1.900
High resolution limit [Å]	1.860	8.920	1.860
Rmerge	0.078	0.045	0.320
Rpim	0.032	0.019	0.141
Total number of observations	288908	2518	12364
Number of reflections	42288
<I/σ(I)>	15.9	27.9	4.3
Completeness [%]	98.6	91.6	79.7
Redundancy	6.8	6	5.6
CC(1/2)	0.998	0.998	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1.7M Ammonium sulfate, 0.1M Hepes