4DFS

Structure of the catalytic domain of an endo-1,3-beta-glucanase (laminarinase) from Thermotoga petrophila RKU-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 31 2 1
Unit cell lengths	130.036, 130.036, 141.466
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.152 - 3.754
R-factor	0.2038
Rwork	0.202
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1azx
RMSD bond length	0.003
RMSD bond angle	0.635
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	3.880
High resolution limit [Å]	3.750	3.750
Number of reflections	14073
Completeness [%]	95.5	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	200 mM Hepes, 1.8 M ammonium sulphate, 100 mM sodium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K