3D0Z

Structural charcaterization of an engineered allosteric protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97984
Spacegroup name	P 43 21 2
Unit cell lengths	93.500, 93.500, 58.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.239
R-free	0.31100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBid: 1GNE (residues 1-214)
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.500	2.500
Rmerge	0.061	0.188
Number of reflections	16796
<I/σ(I)>	16.36	6.92
Completeness [%]	98.5	96.1
Redundancy	3.28	3.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	20% PEG8000, 50mM TRIS, 5mM B-mercaptoethanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K