1HP4

CRYSTAL STRUCTURE OF STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9797, 0.9795, 0.9496
Spacegroup name	P 61 2 2
Unit cell lengths	133.100, 133.100, 176.789
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.190 - 2.200
R-factor	0.181
Rwork	0.181
R-free	0.20900
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.031	0.067
Total number of observations	416806 *
Number of reflections	47413	3854 *
<I/σ(I)>	56.1	21.6
Completeness [%]	99.9	99.3
Redundancy	12	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	298	Ammonium sulphate, tri-sodium citrate, 20% 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	reservoir	ammonium sulfate	2.2 (M)
2	1	reservoir	trisodium citrate	100 (mM)	pH6.0
3	1	reservoir	glycerol	20-25 (%)
4	1	drop	protein	10 (mg/ml)