1MD9

CRYSTAL STRUCTURE OF DhbE IN COMPLEX WITH DHB AND AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Collection date	2001-03-23
Spacegroup name	P 31
Unit cell lengths	66.900, 66.900, 114.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.800
Rwork	0.232
R-free	0.28800
Structure solution method	MAD
RMSD bond length	0.009 *
RMSD bond angle	1.480 *
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]	2.800
Rmerge	0.039 *	0.102 *
Total number of observations	38167 *
Number of reflections	14081 *
Completeness [%]	95.0 *	90.9 *

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