1MDF

CRYSTAL STRUCTURE OF DhbE IN ABSENCE OF SUBSTRATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Collection date	2001-03-10
Spacegroup name	P 31
Unit cell lengths	65.450, 65.450, 106.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.500
Rwork	0.204
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1md9
RMSD bond length	0.006 *
RMSD bond angle	1.350 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.500
Rmerge	0.088 *	0.318 *
Total number of observations	42630 *
Number of reflections	17099 *
Completeness [%]	96.5 *	92.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.6 *	18 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	PEG4000	30 (%)
3	1	reservoir	Tris-HCl	0.1 (M)
4	1	reservoir		0.2 (M)	pH8.6