1HP5

STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE COMPLEXED WITH INTERMEDIATE ANALOUGE NAG-THIAZOLINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-17
Detector	ADSC QUANTUM 4
Wavelength(s)	1.03
Spacegroup name	P 61 2 2
Unit cell lengths	133.621, 133.621, 174.194
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.830 - 2.100
R-factor	0.197
Rwork	0.197
R-free	0.22200
Structure solution method	Difference Fourier
Starting model (for MR)	1hp4
RMSD bond length	0.005
RMSD bond angle	22.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.263
Total number of observations	361546 *
Number of reflections	52210
<I/σ(I)>	26.4	6.64
Completeness [%]	96.6	92
Redundancy	12	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	Ammonium sulfate, tri-sodium citrate, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	2.2 (M)
3	1	reservoir	trisodium citrate	100 (mM)	pH6.0
4	1	reservoir	glycerol	20-25 (%)