3D5E

Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by paraoxon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-17
Detector	ADSC QUANTUM 315
Spacegroup name	C 1 2 1
Unit cell lengths	117.213, 78.696, 97.340
Unit cell angles	90.00, 101.61, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.207
Rwork	0.204
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE STRUCTURE PDB ENTRY 3D59
RMSD bond length	0.023
RMSD bond angle	1.905
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (OF CCP4I REFMAC5 OF CCP4I FOR FINAL REFINEMENT)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.193
Number of reflections	48162
<I/σ(I)>	19.59	3.43
Completeness [%]	94.9	73.8
Redundancy	3.4	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K