1F2V

CRYSTAL STRUCTURE ANALYSIS OF PRECORRIN-8X METHYLMUTASE OF AEROBIC VITAMIN B12 SYNTHESIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1999-05-18
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 - 2.100
R-factor	0.183 *
Rwork	0.183
R-free	0.23600
RMSD bond length	0.006
RMSD bond angle	1.334
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	20.000
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.278
Total number of observations	26519 *
Number of reflections	8066
<I/σ(I)>	8.4
Completeness [%]	90.3	94.1
Redundancy	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	PEG 4000, magnesium chloride, Tris-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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)