3QY5

Microfluidic crystallization of Thaumatin using the Crystal Former

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-01
Detector	ADSC QUANTUM 210
Spacegroup name	P 41 21 2
Unit cell lengths	57.914, 57.914, 150.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.000 - 1.250
R-factor	0.1545
Rwork	0.154
R-free	0.16955
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.461
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.053
Number of reflections	71466
<I/σ(I)>	29.4
Completeness [%]	99.7	95.9
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	Microfluidic crystallization using the Crystal Former, 0.1 M HEPES, 0.8 M potassium sodium tartrate tetrahydrate, pH 7.5, temperature 298K