3REE

Crystal structure of mitoNEET

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 41 2 2
Unit cell lengths	58.640, 58.640, 177.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.320 - 1.760
R-factor	0.2032
Rwork	0.202
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qd0
RMSD bond length	0.034
RMSD bond angle	2.570
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.684	30.382	1.860
High resolution limit [Å]	1.760	5.570	1.760
Rmerge		0.036	0.514
Total number of observations		3476	14897
Number of reflections	15831
<I/σ(I)>	13.7	17.2	1.5
Completeness [%]	99.8	96.8	100
Redundancy	6.9	6.2	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Crystals were grown by mixing 1 microliter of mitoNEET 23.3 mg/mL in 50 mM Tris HCl, 0.3 M NaCl, pH 8.5 with 1 microliter of 0.1 M Tris HCl, 1.5 ~ 1.8 M ammonium sulfate, pH 8.5 solution against the same solution. Crystals were appeared in 3 days and flash frozen by transfering into 0.1 M Tris HCl, 1.5 ~ 1.8 M amomnium acete, pH 8.5, 20% xylitol for a few minutes, VAPOR DIFFUSION, HANGING DROP, temperature 291K