3LPQ

Human MitoNEET with 2Fe-2S Coordinating Ligand His 87 Replaced With Cys

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	49.311, 49.587, 59.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.890 - 1.700
R-factor	0.18
Rwork	0.178
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.722
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.019	38.020	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.062	0.032	0.726
Total number of observations		3578	16442
Number of reflections	16489
<I/σ(I)>	16.5	17.7	1.1
Completeness [%]	99.7	98.2	99.8
Redundancy	6.9	6.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	17% PEG 3000, 100 mM Tris-Hcl pH 8.0, 150 mM NaCl, vapor diffusion, temperature 298K
1	VAPOR DIFFUSION	8	298	17% PEG 3000, 100 mM Tris-Hcl pH 8.0, 150 mM NaCl, vapor diffusion, temperature 298K