7Q5G

LAN-DAP5 DERIVATIVE OF LANREOTIDE: L-DIAMINO PROPIONIC ACID IN POSITION 5 IN PLACE OF L-LYSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.79990, 0.78971
Spacegroup name	P 61
Unit cell lengths	18.950, 18.950, 57.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.410 - 0.830
R-factor	0.0781
Rwork	0.077
R-free	0.08580
Structure solution method	AB INITIO PHASING
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.410	0.855
High resolution limit [Å]	0.825	0.825
Rmerge	0.030	0.160
Rmeas	0.030	0.178
Rpim	0.004	0.076
Number of reflections	11135	1011
<I/σ(I)>	90.68	7.14
Completeness [%]	99.2	91.84
Redundancy	44.4	4.6
CC(1/2)	1.000	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ethanol 29%