1K98

AdoMet complex of MetH C-terminal fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	140
Detector technology	IMAGE PLATE
Collection date	2000-05-09
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	108.503, 108.503, 146.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.750
R-factor	0.308 *
Rwork	0.308
R-free	0.36300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k7y
RMSD bond length	0.020 *
RMSD bond angle	1.970 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000 *	3.880
High resolution limit [Å]	3.750	3.750
Rmerge	0.062 *	0.444 *
Total number of observations	34361 *
Number of reflections	8057 *
Completeness [%]	85.1 *	62.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	22 *	cacodylate, ammonium sulfate, PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	cacodylate	0.1 (M)	pH6.5
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	reservoir	PEG8000	30 (%(w/v))