2IXB

Crystal structure of N-ACETYLGALACTOSAMINIDASE in complex with GalNAC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-10
Detector	ADSC CCD
Spacegroup name	P 65 2 2
Unit cell lengths	88.189, 88.189, 301.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.174
Rwork	0.173
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ixa
RMSD bond length	0.008
RMSD bond angle	1.141
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.050	0.260
Number of reflections	27626
<I/σ(I)>	33.7	9.4
Completeness [%]	98.2	84.3
Redundancy	12.3	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.25		46-50% 2-METHYL-2,4-PENTANEDIOL (MPD), 75 MM NA-CITRATE PH 6.25