1MDB

CRYSTAL STRUCTURE OF DhbE IN COMPLEX WITH DHB-ADENYLATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Collection date	2001-04-20
Spacegroup name	P 31
Unit cell lengths	66.800, 66.800, 115.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.150
Rwork	0.217
R-free	0.26300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1md9
RMSD bond length	0.006 *
RMSD bond angle	1.330 *
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]	2.150
Rmerge	0.047 *	0.237 *
Total number of observations	104225 *
Number of reflections	30982 *
Completeness [%]	99.4 *	97.5 *

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