5BUC

Oxidized quinone reductase 2 in complex with ethidium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-09-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	56.810, 82.850, 106.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.010 - 1.867
R-factor	0.1558
Rwork	0.153
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr2
RMSD bond length	0.008
RMSD bond angle	1.110
Data reduction software	MOSFLM (7.1.0)
Data scaling software	Aimless (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]	13.010	13.010	1.900
High resolution limit [Å]	1.860	8.920	1.860
Rmerge	0.079	0.020	0.642
Rpim	0.033	0.009	0.302
Total number of observations	262223	1839	10482
Number of reflections	42044
<I/σ(I)>	18.1	55	2.6
Completeness [%]	97.9	68	76.3
Redundancy	6.2	6	5
CC(1/2)	0.999	1.000	0.843

Crystallization Conditions

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