1BYI

STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1996-12
Detector	MAR scanner 300 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	72.447, 47.812, 61.202
Unit cell angles	90.00, 107.24, 90.00

Refinement procedure

Resolution	15.000 - 0.970
R-factor	0.1158
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dts
RMSD bond length	0.016
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	0.980
High resolution limit [Å]	0.970	0.970
Rmerge	0.025	0.245 *
Total number of observations	494742 *
Number of reflections	116232
<I/σ(I)>	54.4	4.2
Completeness [%]	98.5	94.3
Redundancy	4.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	6 *		pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	cacodylate-HCl	50 (mM)
3	1	reservoir	cacodylate-HCl	50 (mM)
4	1	reservoir	ammonium sulfate	0.5 (M)