6GMU

Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9724
Spacegroup name	P 43 21 2
Unit cell lengths	94.318, 94.318, 142.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.308 - 2.700
R-factor	0.1839
Rwork	0.179
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3srg
RMSD bond length	0.008
RMSD bond angle	0.899
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.157	0.853
Rmeas	0.163	0.886
Rpim	0.045	0.238
Number of reflections	18335	881
<I/σ(I)>	16.53	2.96
Completeness [%]	99.9	100
Redundancy	13.5	13.7
CC(1/2)		0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M Bis-Tris Propane pH 6.5, 0.2M Sodium Bromide and 20% PEG 3350