6FJ6

Structure of Thaumatin collected at 100K on ID30B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	57.951, 57.951, 150.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.090 - 1.080
R-factor	0.149
Rwork	0.148
R-free	0.16645
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e0a
RMSD bond length	0.017
RMSD bond angle	1.822
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.090	1.120
High resolution limit [Å]	1.080	1.080
Rmerge	0.054	0.514
Rmeas	0.069	0.845
Rpim	0.029	0.544
Number of reflections	99222	6841
<I/σ(I)>	11.8	0.8
Completeness [%]	89.9	63.5
Redundancy	3.6	1.6
CC(1/2)	0.996	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 0.7 M sodium/potassium tartrate and 20% glycerol.