1ORB

ACTIVE SITE STRUCTURAL FEATURES FOR CHEMICALLY MODIFIED FORMS OF RHODANESE

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1994-12
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	156.230, 49.040, 42.250
Unit cell angles	90.00, 98.60, 90.00

Refinement procedure

Resolution	9.000 - 2.000
R-factor	0.187
RMSD bond length	0.010
RMSD bond angle	19.100 *
Data reduction software	SAINT
Refinement software	TNT

Data quality characteristics

	Overall
Rmerge	0.097
Total number of observations	25157 *
Number of reflections	13451 *
Completeness [%]	61.0 *
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.4 *	20 *

Crystallization Reagents in Literatures

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