9KUN

Crystal structure of ligand-free trypanosome alternative oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-12
Detector	MAR CCD 300 mm
Wavelength(s)	0.90000
Spacegroup name	C 1 2 1
Unit cell lengths	149.416, 223.007, 62.858
Unit cell angles	90.00, 115.28, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.20673
Rwork	0.204
R-free	0.25821
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vv9
RMSD bond length	0.013
RMSD bond angle	1.767
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.066	0.772
Number of reflections	48896	2646
<I/σ(I)>	8	1.3
Completeness [%]	98.2	96.8
Redundancy	2.8
CC(1/2)		0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% PEG 400, 0.1 M IMIDAZOLE, 0.5 M POTASSIUM FORMATE