5WR8

Thaumatin structure determined by SACLA at 1.55 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2015-10-06
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 41 21 2
Unit cell lengths	58.459, 58.459, 151.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.229 - 1.550
R-factor	0.1284
Rwork	0.127
R-free	0.15050
RMSD bond length	0.006
RMSD bond angle	0.984
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.600
High resolution limit [Å]	1.550	1.550
Number of reflections	39121
<I/σ(I)>	7.7	2
Completeness [%]	100.0	100
Redundancy	647.6	668.5
CC(1/2)	0.988	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.3	277	20 mM N-(2-acetamido) iminodiacetic acid, 2.0 M potassium sodium tartrate