1JAK

Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG)

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	2000-11-16
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	P 61 2 2
Unit cell lengths	132.767, 132.767, 177.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 * - 1.750
R-factor	0.176
Rwork	0.176
R-free	0.19200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1hp4
RMSD bond length	0.005
RMSD bond angle	1.340 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.043	0.150
Total number of observations	1013193 *
Number of reflections	92286 *	4366 *
<I/σ(I)>	36.2	10.9
Completeness [%]	99.6	95.7
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	298	Ammonium sulphate, Tri-sodium citrate, Sodium Chloride, glycerol, 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	tri-sodium citrate	50 (mM)	pH5.0
2	1	drop		300 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	ammonium sulfate	2.1 (M)
5	1	reservoir	tri-sodium citrate	100 (mM)	pH6.0
6	1	reservoir	glycerol	20 (%)