1LR3

Crystal structure of thaumatin at high hydrostatic pressure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-04-24
Detector	MARRESEARCH
Wavelength(s)	0.9474
Spacegroup name	P 41 21 2
Unit cell lengths	57.836, 57.836, 150.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
Rwork	0.174
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1thw
RMSD bond length	0.007
RMSD bond angle	1.523
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]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.030 *	0.057 *
Number of reflections	24544
Completeness [%]	99.9	100
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	293	tartrate, pH 6.5, SMALL TUBES, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	35 (mg/ml)
2	1	1	Na tartrate	0.73 (M)
3	1	1	Na ADA	0.1 (M)