1PP3

Structure of thaumatin in a hexagonal space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 61
Unit cell lengths	144.830, 144.830, 47.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.211
Rwork	0.211
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.690
High resolution limit [Å]	1.600	1.600
Number of reflections	74168
Completeness [%]	97.9	99
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	Ammonium sulfate, glycerol, PEG 400, Lithium sulfate, Magnesium sulfate, Sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K