3RRU

X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.97916
Spacegroup name	P 31 1 2
Unit cell lengths	122.047, 122.047, 55.095
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.980 - 3.000
R-factor	0.227
Rwork	0.227
R-free	0.25200
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.117	0.339
Number of reflections	17498
<I/σ(I)>	6.9	1.61
Completeness [%]	95.3	81.5
Redundancy	1.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	291	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, 5 mM DTT, and 0.02% NaN3. Reservoir solution: 100mM MES (pH 6), 40% PEG 8000, and 100mM Ammonium Sulfate, micro batch under oil, temperature 291K