1QJG

Crystal structure of delta5-3-ketosteroid isomerase from Pseudomonas testosteroni in complex with equilenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	287
Detector technology	IMAGE PLATE
Detector	MACSCIENCE
Spacegroup name	P 1 21 1
Unit cell lengths	73.900, 72.500, 80.800
Unit cell angles	90.00, 104.30, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.196 *
Rwork	0.205
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8cho
RMSD bond length	0.010
RMSD bond angle	1.389 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.260	2.260
Rmerge	0.069 *
Total number of observations	102917 *
Number of reflections	37500
Completeness [%]	96.0	90
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.6	12 *	PEG 4000 25%, 0.1M SODIUM ACETATE, PH 4.6, 0.2M AMMONIUM SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	PEG4000	25 (%)
3	1	drop	sodium acetate	0.1 (M)
4	1	drop	ammonium sulfate	0.2 (M)