5GQP

Thaumatin Structure at pH 8.0, orthorhombic type1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-05
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	50.964, 53.372, 71.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.435 - 1.296
R-factor	0.1441
Rwork	0.143
R-free	0.16930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vhg
RMSD bond length	0.006
RMSD bond angle	1.078
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.296	1.300
Rmerge		0.498
Number of reflections	47852
<I/σ(I)>	52.33	4.67
Completeness [%]	98.1	96.4
Redundancy	7.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG3350, 50 mM Tris buffer