1VZZ

CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/D103L OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-05
Detector	MACSCIENCE
Spacegroup name	P 21 21 21
Unit cell lengths	35.279, 72.958, 95.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.410 - 2.300
R-factor	0.227
Rwork	0.227
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dmq
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.053	0.226
Number of reflections	6746
<I/σ(I)>	6.3
Completeness [%]	91.7	82.3
Redundancy	6.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60