3NSN

Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	108.500, 108.500, 175.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.130 - 2.100
R-factor	0.20206
Rwork	0.202
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o7a
RMSD bond length	0.007
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	55689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	100mM HEPES, 200mM MgCl2, 30% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K