1M01

Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-20
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	P 61 2 2
Unit cell lengths	133.276, 133.276, 176.204
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.000 - 2.100
R-factor	0.195
Rwork	0.195
R-free	0.21600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1hp4
RMSD bond length	0.005
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.038 *	0.100 *
Total number of observations	747643 *
Number of reflections	54264	2604 *
<I/σ(I)>	39.4	15.1
Completeness [%]	99.8	97.4
Redundancy	12	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	AMMONIUM SULFATE, TRI-SODIUM CITRATE, GLYCEROL, GlcNAc, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	trisodium citrate	50 (mM)
2	1	drop		300 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	ammonium sulfate	2.1 (M)
5	1	reservoir	trisodium citrate	100 (mM)	pH6.0
6	1	reservoir	glycerol	20 (%)