1DMN

CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1999-11-20
Detector	MACSCIENCE
Spacegroup name	C 2 2 21
Unit cell lengths	36.360, 96.480, 74.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.195
Rwork	0.195
R-free	0.24400
RMSD bond length	0.019
RMSD bond angle	2.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.066	0.220
Number of reflections	8592
<I/σ(I)>	14.5
Completeness [%]	93.3	89
Redundancy	5.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	SODIUM ACETATE, AMMONIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	1.0 (M)
2	1	reservoir	ammonium acetate	0.1 (M)