1KF6

E. coli Quinol-Fumarate Reductase with Bound Inhibitor HQNO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-12-15
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	96.505, 137.836, 273.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.700
R-factor	0.231 *
Rwork	0.231
R-free	0.28000
Starting model (for MR)	1FUM
RMSD bond length	0.019
RMSD bond angle	1.950
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.740
High resolution limit [Å]	2.700	2.700
Rmerge	0.063 *	0.287 *
Total number of observations	292370 *
Number of reflections	93174 *
Completeness [%]	91.6	74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8 *	295	PEG 5K MME, MgOAc, NaCitrate, EDTA, DTT, HQNO, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	polyoxyethylene getergent C12E9	0.7 (%(w/v))
3	1	reservoir	PEG5000 MME	12.5 (%)
4	1	reservoir	magnesium acetate	85 (mM)
5	1	reservoir	sodium citrate	100 (mM)	pH5.8
6	1	reservoir	EDTA	0.100 (mM)
7	1	reservoir	dithiothreitol	0.001 (%)