1I1H

CRYSTAL STRUCTURE ANALYSIS OF PRECORRIN-8X METHYLMUTASE COMPLEX WITH HYDROGENOBYRINIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1999-12-20
Detector	MACSCIENCE
Spacegroup name	C 1 2 1
Unit cell lengths	90.100, 36.600, 60.300
Unit cell angles	90.00, 113.80, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.227
Rwork	0.227
R-free	0.21800
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.430
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.600	2.600
Rmerge	0.106	0.266
Total number of observations	17886 *
Number of reflections	5501
<I/σ(I)>	9.3
Completeness [%]	98.1	98.4 *
Redundancy	3.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	299	PEG 4000, Magnesium Chloride, Tris-HCl, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 299.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG4000	25-32.5 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	Tris-HCl	0.1 (M)