7AT6

Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESB
Synchrotron site	SwissFEL ARAMIS
Beamline	ESB
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.368
Spacegroup name	P 41 21 2
Unit cell lengths	58.600, 58.600, 151.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.353 - 1.460
R-factor	0.1593
Rwork	0.159
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4axr
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.353	1.490
High resolution limit [Å]	1.460	1.460
Number of reflections	46820	4574
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	530
CC(1/2)	0.992	0.306

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	1.6 M potassium sodium tartrate tetrahydrate 100mM Na Hepes pH 7.0 buffer