2IXA

A-zyme, N-acetylgalactosaminidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-14
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	87.659, 87.659, 299.427
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.040 - 2.300
R-factor	0.193
Rwork	0.192
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.141
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.490
Number of reflections	30652
<I/σ(I)>	25.7	4.5
Completeness [%]	98.0	82.8
Redundancy	11.3	8.9

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