4ZV6

Crystal structure of the artificial alpharep-7 octarellinV.1 complex

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	2013-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	73.133, 42.021, 85.186
Unit cell angles	90.00, 106.35, 90.00

Refinement procedure

Resolution	47.097 - 2.220
R-factor	0.2354
Rwork	0.233
R-free	0.28680
RMSD bond length	0.009
RMSD bond angle	1.226
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.100
High resolution limit [Å]	2.220
Number of reflections	24372
<I/σ(I)>	16.15
Completeness [%]	98.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	21% (w/v) PEG400, 100mM MgCl2, 100mM Hepes pH 7.5, 20mg/ml octarellin-alpha rep complex