4L5H

Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins

Replaces:  4H8T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-22
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.956639
Spacegroup name	C 1 2 1
Unit cell lengths	122.210, 52.730, 94.390
Unit cell angles	90.00, 132.23, 90.00

Refinement procedure

Resolution	12.630 - 1.800
R-factor	0.19992
Rwork	0.198
R-free	0.23286
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jru
RMSD bond length	0.023
RMSD bond angle	2.221
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	12.630	12.630	1.670
High resolution limit [Å]	1.590	5.030	1.590
Rmerge	0.081	0.044	0.427
Number of reflections	29314
<I/σ(I)>	8.5	12.4	1.8
Completeness [%]	75.7	61.9	78.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M Na Acetate pH 4.6, 2 M Mg acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K