4QOD

The value crystal structure of apo quinone reductase 2 at 1.35A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2014-02-11
Detector	PSI PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	56.120, 83.200, 106.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.650 - 1.350
R-factor	0.15268
Rwork	0.151
R-free	0.19112
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qwx
RMSD bond length	0.022
RMSD bond angle	2.181
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.650	1.430
High resolution limit [Å]	1.350	1.350
Number of reflections	104457
<I/σ(I)>		1.37
Completeness [%]	99.6	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES pH7, 1.4M AmSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K