5YAW

Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97923
Spacegroup name	P 32 2 1
Unit cell lengths	56.148, 56.148, 116.161
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.854 - 2.027
R-factor	0.2181
Rwork	0.216
R-free	0.25230
RMSD bond length	0.008
RMSD bond angle	1.017
Data scaling software	XDS
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.854
High resolution limit [Å]	2.027
Number of reflections	14318
<I/σ(I)>	1.34
Completeness [%]	99.8
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	100Mm Sodium acetate pH 4.6, 2.0M NaCl