6C5Y

Crystal structure of thaumatin from microcrystals

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.76
Spacegroup name	P 41 21 2
Unit cell lengths	57.576, 57.576, 150.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 2.500
R-factor	0.1841
Rwork	0.182
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lh1
RMSD bond length	0.002
RMSD bond angle	0.529
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.710
High resolution limit [Å]	2.500	2.560
Number of reflections	16703
<I/σ(I)>	8.9
Completeness [%]	100.0
Redundancy	23.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	1.7 M sodium tartrate, 100 mM ADA, pH 6.5