4YSZ

Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	123.934, 126.968, 219.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 3.300
R-factor	0.182
Rwork	0.179
R-free	0.25000
RMSD bond length	0.008
RMSD bond angle	1.410
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	3.360
High resolution limit [Å]	3.300	3.300
Rmerge	0.137	0.449
Number of reflections	52914
<I/σ(I)>	5.9	3.3
Completeness [%]	98.2	93.7
Redundancy	5.5	4.7

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