3WOR

Crystal structure of the DAP BII octapeptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2012-06-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.10000
Spacegroup name	P 43 21 2
Unit cell lengths	122.008, 122.008, 219.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.16896
Rwork	0.166
R-free	0.22642
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3woi
RMSD bond length	0.018
RMSD bond angle	1.807
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.100
Number of reflections	91253
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	18% PEG 8000, 20% Glycerol, 2mM ZnCl2, 80mM CHES, 2mM Angiotensin II, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K