4EK0

Initial Thaumatin Structure for Radiation Damage Experiment at 25 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	25
Detector technology	CCD
Collection date	2010-06-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.917
Spacegroup name	P 41 21 2
Unit cell lengths	57.130, 57.130, 150.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.920 - 1.520
R-factor	0.1837
Rwork	0.183
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BUSTER (2.8.0)
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	1.580
High resolution limit [Å]	1.520	3.280	1.520
Rmerge	0.057	0.040	0.267
Number of reflections	38888
<I/σ(I)>	10
Completeness [%]	18.8	16.2	16.6
Redundancy	1.1	1	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	sodium potassium tartrate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K