1LNQ

CRYSTAL STRUCTURE OF MTHK AT 3.3 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 61
Unit cell lengths	137.000, 137.000, 373.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.450 - 3.300
R-factor	0.299 *
Rwork	0.301
R-free	0.31500 *
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	23.600 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.300	3.300
Number of reflections	56550
<I/σ(I)>		1
Completeness [%]	95.0	71
Redundancy	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	20 *	PEGMME350, CaCl2, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8 *	20 *	PEGMME350, CaCl2, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8 *	20 *	PEGMME350, CaCl2, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	LDAO	5 (mM)
2	1	drop	Tris	20 (mM)	pH8.0
3	1	drop		100 (mM)
4	1	drop	protein	15.0 (mg/ml)
5	1	reservoir	PEG350 MME	23-26 (%)
6	1	reservoir	MES	100 (mM)	pH6.5
7	1	reservoir		200 (mM)