1KWI

Crystal Structure Analysis of the Cathelicidin Motif of Protegrins

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-16
Detector	MARRESEARCH
Wavelength(s)	0.9791, 0.9793, 0.9717
Spacegroup name	P 65 2 2
Unit cell lengths	51.360, 51.360, 133.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.970 - 2.190
R-factor	0.229
Rwork	0.229
R-free	0.29100
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.640 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.290
High resolution limit [Å]	2.190	2.190
Rmerge	0.057 *	0.380 *
Total number of observations	99989 *
Number of reflections	9865 *
<I/σ(I)>	12.2
Completeness [%]	93.1 *	90 *
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.8	18 *	ammonium sulfate, sodium acetate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	3.8	18 *	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 (mg/ml)
2	1	reservoir	sodium citrate	0.1 (M)	pH3.5-3.7
3	1	reservoir	ammonium sulfate	1.5 (M)