2B03

Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2004-03-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	69.154, 69.154, 64.407
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.470 - 2.300
R-factor	0.211
Rwork	0.211
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b01
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.083	0.657
Number of reflections	8231
<I/σ(I)>	22	2.5
Completeness [%]	99.6	99.5
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.4 Sodium Tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K