2YVM

Crystal structure of NDX2 in complex with MG2+ from thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	95
Detector technology	CCD
Collection date	2004-10-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	40.763, 101.176, 97.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.990 - 1.700
Rwork	0.205
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.044	0.239
Number of reflections	22707
<I/σ(I)>	48	7
Completeness [%]	99.9	99.8
Redundancy	7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05M MES, 0.08M MAGNESIUM ACETATE, 7%(W/V) PEG8000, 10%(W/V) GLYCEROL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05M MES, 0.08M MAGNESIUM ACETATE, 7%(W/V) PEG8000, 10%(W/V) GLYCEROL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.05M MES, 0.08M MAGNESIUM ACETATE, 7%(W/V) PEG8000, 10%(W/V) GLYCEROL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K