2PE7

Thaumatin from Thaumatococcus Danielli in complex with tris-dipicolinate Europium

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-25
Detector	MAR CCD 165 mm
Wavelength(s)	1.776211, 0.920134
Spacegroup name	P 41 21 2
Unit cell lengths	57.550, 57.550, 149.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.680 - 1.460
R-factor	0.153
Rwork	0.152
R-free	0.17600
Structure solution method	MAD
Starting model (for MR)	1rqw
RMSD bond length	0.012
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.596	45.600	1.530
High resolution limit [Å]	1.456	4.600	1.460
Rmerge	0.074	0.051	0.390
Total number of observations		19595	47838
Number of reflections	44812
<I/σ(I)>	5.5	8.1	1.1
Completeness [%]	99.5	99.9	96.7
Redundancy	12.3	12	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.7 M Sodium Potassium Tatrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.7 M Sodium Potassium Tatrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K