1MGT

CRYSTAL STRUCTURE OF O6-METHYLGUANINE-DNA METHYLTRANSFERASE FROM HYPERTHERMOPHILIC ARCHAEON PYROCOCCUS KODAKARAENSIS STRAIN KOD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	290
Detector technology	DIFFRACTOMETER
Collection date	1997-09-15
Detector	WEISSENBERG
Spacegroup name	P 21 21 21
Unit cell lengths	53.230, 86.220, 39.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.173
Rwork	0.171
R-free	0.21800
Structure solution method	SIRAS
RMSD bond length	0.018 *
RMSD bond angle	2.570 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.160
Total number of observations	92828 *
Number of reflections	16314 *
<I/σ(I)>	10.9
Completeness [%]	92.4	76.8
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		HANGING DROP VAPOR DIFFUSION, pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG20000	15 (%(w/v))
3	1	reservoir	ammonium sulfate	200 (mM)