2FYU

Crystal structure of bovine heart mitochondrial bc1 with jg144 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2004-07-03
Detector	MARRESEARCH
Wavelength(s)	1.0090
Spacegroup name	I 41 2 2
Unit cell lengths	154.263, 154.263, 590.191
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.260
R-factor	0.24916
Rwork	0.248
R-free	0.28328
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l0n
RMSD bond length	0.021
RMSD bond angle	2.063
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.260	2.260
Rmerge		0.382
Number of reflections	157290
<I/σ(I)>	17.2
Completeness [%]	86.1	42.4
Redundancy	4	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277.2	50 mM MOPS 7.2pH, 20 mM Ammonium acetate, 20% glycerol.Incubation with 2-5 mol excess of JG144. Precipitant 12% PEG4000, 0.5 M KCl, 0.1% DHPC; Protein:PPT ratio 1:0.57, VAPOR DIFFUSION, SITTING DROP, temperature 277.2K