1L3I

MT0146, THE PRECORRIN-6Y METHYLTRANSFERASE (CBIT) HOMOLOG FROM M. THERMOAUTOTROPHICUM, ADOHCY BINARY COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	141.100, 59.400, 165.900
Unit cell angles	90.00, 109.90, 90.00

Refinement procedure

Resolution	40.000 * - 1.900 *
Rwork	0.212
R-free	0.25770 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f38
RMSD bond length	0.010
RMSD bond angle	1.550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	1.900
Rmerge	0.140 *	1.900 *
Number of reflections	91883
Completeness [%]	97.7 *	98 *
Redundancy	3.34 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	25 *	PEG 8000, MgCl, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)
2	1	drop	PEG8000	10 (%(w/v))
3	1	drop		100 (mM)
4	1	drop	Tris-Cl	5 (mM)	pH7.5
5	1	reservoir	PEG8000	16-22 (%)
6	1	reservoir		200 (mM)
7	1	reservoir	Tris-Cl	10 (mM)	pH7.5