1DP2

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN RHODANESE AND LIPOATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	300
Detector technology	AREA DETECTOR
Collection date	1998-06-11
Detector	SIEMENS HI-STAR
Spacegroup name	C 1 2 1
Unit cell lengths	154.360, 49.310, 41.680
Unit cell angles	90.00, 99.60, 90.00

Refinement procedure

Resolution	55.000 - 2.010
R-factor	0.17
Rwork	0.170
R-free	0.23000
RMSD bond length	0.010 *
RMSD bond angle	2.300
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	2.200
High resolution limit [Å]	2.010	2.010
Rmerge	0.043	0.134
Total number of observations	42252 *
Number of reflections	18241 *
<I/σ(I)>	14
Completeness [%]	85.6	68
Redundancy	2.3	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	293	Gliubich, F., (1996), J. Biol. Chem., 271, 21054. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.8-1.9 (M)
2	1	reservoir	sodium phosphate	30 (mM)