4ZVL

Oxidized 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	2014-10-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	56.370, 83.060, 106.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.996 - 1.899
R-factor	0.1471
Rwork	0.145
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr2
RMSD bond length	0.012
RMSD bond angle	1.325
Data reduction software	MOSFLM (7.1.0)
Data scaling software	SCALA (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	15.000	1.940
High resolution limit [Å]	1.890	8.880	1.890
Rmerge	0.099	0.061	0.433
Rpim	0.040	0.026	0.189
Total number of observations	279656	2224	13136
Number of reflections	39969
<I/σ(I)>	13.7	24.4	4.1
Completeness [%]	98.6	79.5	82.3
Redundancy	7	6.2	5.9
CC(1/2)	0.996	0.996	0.903

Crystallization Conditions

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