3WXS

Thaumatin structure determined by SPring-8 Angstrom Compact free electron Laser (SACLA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	296
Detector technology	CCD
Collection date	2013-12-10
Detector	MPCCD octal
Wavelength(s)	1.23
Spacegroup name	P 41 21 2
Unit cell lengths	57.699, 57.699, 149.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.849 - 2.000
R-factor	0.1591
Rwork	0.157
R-free	0.20030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3al7
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	22712
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch method	7.2	293	0.1M ADA, 1.0M K/Na tartrate, pH 7.2, batch method, temperature 293K