2AZZ

Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurocholate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2004-10-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	68.650, 68.650, 65.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.080 - 2.200
R-factor	0.199
Rwork	0.199
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bo1
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.100	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.311
Number of reflections	9422
<I/σ(I)>	22	3.9
Completeness [%]	96.2	96.4
Redundancy	4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.2M Calcium Chloride, 28% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K