4YTP

CRYSTAL STRUCTURE OF PORCINE HEART MITOCHONDRIAL COMPLEX II BOUND WITH N-[(4-tert-butylphenyl)methyl]-2-(trifluoromethyl)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	71.429, 84.008, 294.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.20954
Rwork	0.206
R-free	0.26903
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zoy
RMSD bond length	0.007
RMSD bond angle	1.227
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	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.095	0.516
Number of reflections	31105
<I/σ(I)>	11.4	1.7
Completeness [%]	93.3	94.9
Redundancy	3.9	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	5MM HEPES-NAOH, 7% PEG 4000, 200MM SUCROSE, 100MM NACL, 10MM CACL2, 0.5MM EDTA, 3% 1,6-HAXANEDIOL,0.5% N-DECYL-BETA-D-MALTOSIDE