1EA2

Pseudoreversion of the Catalytic Activity of Y14F by the Additional Tyrosine-to-Phenylalanine Substitution(s) in the Hydrogen Bond Network of Delta-5-3-Ketosteroid Isomerase from Pheudomonas putida Biotype B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	296
Spacegroup name	C 2 2 21
Unit cell lengths	36.130, 95.830, 74.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.206
Rwork	0.206
R-free	0.25800
Structure solution method	DIRECT METHODS
RMSD bond length	0.007
RMSD bond angle	1.500
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Number of reflections	11549
Completeness [%]	93.0
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		pH 4.60