6YBX

RT structure of Thaumatin obtained at 1.14 A resolution from crystal grown in a Mylar microchip.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	293.5
Detector technology	PIXEL
Collection date	2017-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	58.570, 58.570, 151.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.340 - 1.140
R-factor	0.1363
Rwork	0.135
R-free	0.15710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1thw
RMSD bond length	0.012
RMSD bond angle	1.271
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.340	1.180
High resolution limit [Å]	1.140	1.140
Number of reflections	89815	5094
<I/σ(I)>	16.9
Completeness [%]	92.3
Redundancy	31.69
CC(1/2)	0.998	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	7	293.5	20% w/v NaK Tartrate