3DT6

Crystal Structure of Bovin Brain Platelet Activating Factor Acetylhydrolase Covalently Inhibited by Paraoxon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-10-24
Detector	RIGAKU
Spacegroup name	P 31 2 1
Unit cell lengths	81.270, 81.270, 72.506
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.19957
Rwork	0.199
R-free	0.20559
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wab
RMSD bond length	0.016
RMSD bond angle	1.363
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (OF CCP4I FOR FINAL REFINEMENT)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.360	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.058	0.354
Number of reflections	15253
<I/σ(I)>	28.28	3.3
Completeness [%]	92.1	90.6
Redundancy	5.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP