3N03

Thaumatin crystals grown from drops

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	57.900, 57.900, 150.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.680 - 1.500
R-factor	0.14709
Rwork	0.146
R-free	0.16335
Structure solution method	Rigid body with the coordinate for the loop method
Starting model (for MR)	Coordinate for the structure of the crystals grown in loop (PDB code: 3N02).
RMSD bond length	0.016
RMSD bond angle	1.595
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.202
Number of reflections	41768
<I/σ(I)>	26.3	7.7
Completeness [%]	99.4	99.9
Redundancy	4.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	295	0.9M Sodium/potassium tartrate, 0.1M HEPES (pH 7.3), 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K