2QD0

Crystal structure of mitoNEET

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-05-19
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	43.838, 59.139, 65.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.920 - 1.810
R-factor	0.166
Rwork	0.164
R-free	0.19300
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.888
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.045	0.036	0.216
Number of reflections	15523
<I/σ(I)>	15.2
Completeness [%]	95.2	82	76.8
Redundancy	6.4	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100 mM Tris-HCl, 18% PEG 3350 , 200 mM KI., pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
2	VAPOR DIFFUSION, HANGING DROP	7.4	293	100 mM Tris-HCl, 30% PEG 2000 ,100 mM NaCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K