1V04

serum paraoxonase by directed evolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Collection date	2003-12-15
Wavelength(s)	0.9796, 0.9794
Spacegroup name	P 43 21 2
Unit cell lengths	98.440, 98.440, 139.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.186
Rwork	0.185
R-free	0.21700
Structure solution method	SIRAS
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	0.660
Number of reflections	33505
<I/σ(I)>	12.7	2.7
Completeness [%]	99.7	97.9
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		20% PEG 3350, 0.2M AMMONIUM DIHYDROGEN PHOSPHATE, pH 4.60