4QOF

Crystal structure of fmn quinone reductase 2 AT 1.55A

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)	0.9997
Spacegroup name	P 21 21 21
Unit cell lengths	56.170, 83.270, 106.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.690 - 1.550
R-factor	0.215
Rwork	0.214
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qwx
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.690	1.640
High resolution limit [Å]	1.500	1.550
Number of reflections	72946
<I/σ(I)>		1.66
Completeness [%]	99.8	96.6

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