3CRT

Structural characterization of an engineered allosteric protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	150
Detector technology	CCD
Collection date	2007-06-05
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	91.180, 91.180, 57.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.500 - 1.900
Rwork	0.227
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID: 1GNE
RMSD bond length	0.007
RMSD bond angle	1.408
Data reduction software	PROTEUM PLUS (2)
Data scaling software	PROTEUM PLUS (2)
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.500
High resolution limit [Å]	1.800
Rmerge	0.067
Number of reflections	34548
<I/σ(I)>	20.56
Completeness [%]	94.6
Redundancy	9.85

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