1MT0

ATP-binding domain of hemolysin B from Escherichia coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-22
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	105.200, 105.200, 125.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.990 - 2.600
R-factor	0.234
Rwork	0.234
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.400
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]	20.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.076 *	0.349 *
<I/σ(I)>	19.8	1.9
Completeness [%]	97.3	99.3
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	277	PEG 8000, ammonium sulfate, (2-acetamido)iminodiacetic acid, sodium phosphate, potassium chloride, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	Vapor diffusion, hanging drop *	7 *	277	PEG 8000, ammonium sulfate, (2-acetamido)iminodiacetic acid, sodium phosphate, potassium chloride, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium phosphate	10 (mM)	pH8.0
3	1	drop		100 (mM)
4	1	drop	ATP	50 (mM)	pH7.0
5	1	reservoir	diamino acetic acid	150 (mM)	pH6.2
6	1	reservoir	PEG8000	16 (%(w/v))
7	1	reservoir	ammonium sulfate	300 (mM)