3CAY

Crystal structure of Lipopeptide Detergent (LPD-12)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	72.484, 130.040, 42.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.200
R-factor	0.1364
Rwork	0.134
R-free	0.17250
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	0.030
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.200	1.200
Number of reflections	124528
Completeness [%]	98.0	95.7
Redundancy	3.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	295	12% PEG 3350, 0.15 M potassium phosphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.2	295	12% PEG 3350, 0.15 M potassium phosphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K