5OAR

Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.25
Spacegroup name	P 43 21 2
Unit cell lengths	105.752, 105.752, 285.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.370 - 2.300
R-factor	0.1913
Rwork	0.189
R-free	0.24120
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.373
Data reduction software	XDS
Data scaling software	XDS
Phasing software	HKL-3000
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.370	23.370	2.440
High resolution limit [Å]	2.300	6.680	2.300
Rmerge	0.056	0.040	0.565
Rmeas	0.061	0.043	0.661
Total number of observations	356227
Number of reflections	59259	2837	5671
<I/σ(I)>	19.6	39.8	1.93
Completeness [%]	81.3	86	49.4
Redundancy	6.011	7.036	2.641
CC(1/2)	0.998	0.998	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	1 M ammonium sulfate, 20% PEG 3350 and 100 mM HEPES pH 8.0