3SLU

Crystal structure of NMB0315

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	195.680, 75.500, 81.640
Unit cell angles	90.00, 94.66, 90.00

Refinement procedure

Resolution	37.750 - 2.410
R-factor	0.255
Rwork	0.255
R-free	0.26400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	38278
Completeness [%]	82.9	50.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.2	7% PEG 20000, 0.1M Tris-HCl, 2% 1,4-Dioxane, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.2K
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.2	7% PEG 20000, 0.1M Tris-HCl, 2% 1,4-Dioxane, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.2K