1DAK

DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	100
Detector technology	CCD
Collection date	1997-10
Detector	PRINCETON 2K
Spacegroup name	C 1 2 1
Unit cell lengths	72.680, 48.190, 61.070
Unit cell angles	90.00, 106.58, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.184 *
Rwork	0.184
R-free	0.21000
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1dah WITH NON-PROTEIN ATOMS EXCLUDED
RMSD bond length	0.006
RMSD bond angle	0.020
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.078 *	0.430 *
Number of reflections	86120
<I/σ(I)>	16	2.8
Completeness [%]	99.0	92.4
Redundancy	3.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *		drop contained 0.003ml of protein solution mixed with 0.074ml of well solution. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	sodium cacodylate	100 (mM)
3	1	reservoir		100 (mM)
4	1	reservoir	PEG8000	9-12 (%)