5VPN

E. coli Quinol fumarate reductase FrdA E245Q mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	133.565, 138.134, 220.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.962 - 4.223
R-factor	0.2176
Rwork	0.215
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l0v
RMSD bond length	0.003
RMSD bond angle	0.614
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	4.220
Number of reflections	28494
<I/σ(I)>	1.4
Completeness [%]	96.8
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystals of the QFR-FrdAE245Q mutant were grown using the hanging-drop vapor diffusion method in droplets containing protein solution (15 mg/ml QFR FrdAE245Q in 25 mM Tris-HCl pH 7.4, 1 mM EDTA, 0.02 % C12E9) and the reservoir solution (275 mM NaMalonate, 19% polyethylene glycol 6000, 100 mM NaCitrate pH 4.0, 1 mM EDTA and 0.001% dithiothreitol) in a 1:1 ratio.