1OGZ

Crystal Structure Of 5-3-Ketosteroid Isomerase Mutants P39A Complexed With Equilenin From Pseudomonas Testosteroni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	287
Detector technology	IMAGE PLATE
Detector	MACSCIENCE DIP2030
Spacegroup name	P 65 2 2
Unit cell lengths	60.733, 60.733, 142.803
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.235
Rwork	0.235
R-free	0.32000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.083 *
RMSD bond angle	3.172 *
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.300 *
Rmerge	0.065 *
Number of reflections	10000
Completeness [%]	95.3 *
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	21.9-22.1 *	pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DMSO	1 (mg/ml)
2	1	drop		10 (mg/ml)
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.5