5YYQ

Structure K78A thaumatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-07-08
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 41 21 2
Unit cell lengths	57.719, 57.719, 150.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.070
R-factor	0.133
Rwork	0.133
R-free	0.14100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3al7
RMSD bond length	0.017
RMSD bond angle	0.035
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.090
High resolution limit [Å]	1.070	1.070
Rmerge	0.056	0.496
Number of reflections	112490
<I/σ(I)>	71.26	8.2
Completeness [%]	99.9	99.8
Redundancy	10.7	10.6
CC(1/2)	0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M ADA, 0.75M potassium sodium tartrate, pH 7.0