1MHX

Crystal Structures of the redesigned protein G variant NuG1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	298
Detector technology	CCD
Collection date	2001-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	49.458, 49.458, 103.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.300 - 1.800
R-factor	0.261
Rwork	0.212
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pga
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.300	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.116 *
Number of reflections	6383 *
Completeness [%]	95.4	92.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	295	n-propanol, sodium formate, tris-hcl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	10 (mM)	pH7.5
2	1	reservoir	n-propanol	8 (%)
3	1	reservoir	sodium formate	3.6 (M)