3VSF

Crystal structure of 1,3Gal43A, an exo-beta-1,3-Galactanase from Clostridium thermocellum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-11
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	107.603, 122.509, 405.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.548 - 2.757
R-factor	0.2366
Rwork	0.236
R-free	0.25700
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.488
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.073	0.051	0.522
Number of reflections	146526
<I/σ(I)>	14.4
Completeness [%]	99.1	94.5	100
Redundancy	5.7	5.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	2.9M sodium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	2.9M sodium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K