3F9C

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-15
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	116.375, 82.400, 96.511
Unit cell angles	90.00, 115.64, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.19919
Rwork	0.196
R-free	0.26109
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE STRUCTURE PDB ENTRY 3D59
RMSD bond length	0.020
RMSD bond angle	1.813
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (OF CCP4I)
Refinement software	REFMAC (OF CCP4I FOR FINAL REFINEMENT)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.069	0.440
Number of reflections	36675
<I/σ(I)>	20.71	3.23
Completeness [%]	100.0	100
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	PH 6.6. NATIVE PROTEIN CRYSTAL SOAKED IN MOTHER LIQUOR CONTAINING DFP, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K