1VL9

Atomic resolution (0.97A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-26
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 2 1
Unit cell lengths	36.934, 23.863, 65.931
Unit cell angles	90.00, 101.47, 90.00

Refinement procedure

Resolution	20.000 - 0.970
R-factor	0.114
Rwork	0.106
R-free	0.13400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.000
High resolution limit [Å]	0.970	0.970
Rmerge	0.051	0.486
Number of reflections	63929
<I/σ(I)>	18.82
Completeness [%]	99.9
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.2	293	50 mM Tris Buffer, 70% MPD reservoir,17-20Mg/ml prot,5 mM CaCl2 and 60% MPD in the droplet, pH 7.2, temperature 293.0K, VAPOR DIFFUSION