4P5Y

Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with N-acetylgalactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	93.15
Detector technology	CCD
Collection date	2014-02-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	60.650, 60.650, 83.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.890 - 2.500
R-factor	0.176
Rwork	0.174
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lks
RMSD bond length	0.007
RMSD bond angle	1.016
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.890	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	5836
<I/σ(I)>	14.3	3.8
Completeness [%]	100.0	100
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.4M ammonium citrate