1ND4

Crystal structure of aminoglycoside-3'-phosphotransferase-IIa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-15
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 1 21 1
Unit cell lengths	43.048, 101.893, 71.972
Unit cell angles	90.00, 105.58, 90.00

Refinement procedure

Resolution	34.000 - 2.100
Rwork	0.206
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	4.500 *	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.088 *	0.415 *
Completeness [%]	99.4 *	99.7
Redundancy	9.7 *	8.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	4 *	100mM cacodylate, 150mM magnesium acetate, 20-26% PEG8000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	MES	40 (mM)	pH6.4
3	1	reservoir	cacodylate	100 (mM)	pH6.4
4	1	reservoir	magnesium acetate	150 (mM)
5	1	reservoir	PEG8000	20-26 (%)