2VI4

Atomic resolution (1.10 A) structure of purified thaumatin I grown in sodium DL-tartrate at 6 C.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID15B
Synchrotron site	ESRF
Beamline	ID15B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-09-20
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	57.921, 57.921, 149.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.750 - 1.100
R-factor	0.126
Rwork	0.125
R-free	0.14000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KWN
RMSD bond length	0.011
RMSD bond angle	1.569
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.060	0.630
Number of reflections	104165
<I/σ(I)>	24.2	2.1
Completeness [%]	99.7	100
Redundancy	8.2	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.1	279	MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM DL-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 6 C
1	MICROBATCH	7.1	279	MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM DL-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 6 C