8JZ8

Subatomic structure of orthorhombic thaumatin at 0.89 Angstroms

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	2013-07-07
Detector	RIGAKU RAXIS V
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	43.706, 63.665, 71.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 0.890
Rwork	0.113
R-free	0.13100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vjq
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.910
High resolution limit [Å]	0.890	0.890
Rmerge	0.056	0.498
Rmeas	0.062	0.546
Rpim	0.025	0.219
Number of reflections	153640	7590
<I/σ(I)>	49.55	4.81
Completeness [%]	99.9	100
Redundancy	6.2	6.1
CC(1/2)	0.998	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1M N-(2-acetanido) iminodiacetic acid, 25% PEG 8000