1W6Y

crystal structure of a mutant W92A in ketosteroid isomerase (KSI) from Pseudomonas putida biotype B

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	CCD
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	35.320, 95.871, 72.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.2241
Rwork	0.224
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4TSU
RMSD bond length	0.007
RMSD bond angle	1.233
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	6.000
High resolution limit [Å]	2.100
Rmerge	0.070
Number of reflections	7547
Completeness [%]	90.0
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1