1LXE

CRYSTAL STRUCTURE OF THE CATHELICIDIN MOTIF OF PROTEGRINS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2002-01-15
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	52.172, 52.172, 135.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.100 - 2.500
R-factor	0.21501
Rwork	0.215
R-free	0.27900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1kwi
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.100	2.660
High resolution limit [Å]	2.500	2.500
Rmerge	0.092	0.241
Total number of observations	37505 *
Number of reflections	3922
<I/σ(I)>	18.5	4.6
Completeness [%]	93.3 *	92 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	18 *	AMMONIUM SULFATE, SODIUM ACETATE, pH 3.5, 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)