3WOQ

Crystal structure of the DAP BII hexapeptide complex III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2013-01-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98000
Spacegroup name	P 43 21 2
Unit cell lengths	121.700, 121.700, 218.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.920 - 1.820
R-factor	0.1873
Rwork	0.185
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3woi
RMSD bond length	0.018
RMSD bond angle	1.842
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.820
Number of reflections	138595
Completeness [%]	99.4

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 IV, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K