4YTM

Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-biphenyl-3-yl-2-(trifluoromethyl)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-28
Detector	Bruker DIP-6040
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	123.654, 126.426, 220.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.400
R-factor	0.182
Rwork	0.178
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ysx
RMSD bond length	0.007
RMSD bond angle	1.270
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.400	3.400
Rmerge	0.136	0.390
Number of reflections	49409
<I/σ(I)>	11.1	2.7
Completeness [%]	95.6	93
Redundancy	5.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	8.4	293	15% (W/V) PEG 3350, 100MM TRIS-HCL, 200MM NACL, 1MM SODIUM MALONATE, 0.06% (W/V) C12E8, 0.04% (W/V) C12M