1PFP

CATHELIN-LIKE MOTIF OF PROTEGRIN-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-01
Detector	MARRESEARCH
Wavelength(s)	0.97992
Spacegroup name	P 65 2 2
Unit cell lengths	51.541, 51.541, 134.512
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.000 * - 2.300
R-factor	0.22713
Rwork	0.219
R-free	0.28300 *
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.560
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000 *	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.078	0.295
Total number of observations	48282 *
Number of reflections	5162
<I/σ(I)>	13.1	2.9
Completeness [%]	99.7	98.6 *
Redundancy	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	291	ammonium sulfate, sodium acetate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	reservoir	ammonium sulfate	2.1 (M)
3	1	reservoir	sodium acetate		pH3.8