5YAV

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	2015-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	55.780, 55.780, 115.644
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.287 - 1.989
R-factor	0.2268
Rwork	0.225
R-free	0.26660
RMSD bond length	0.007
RMSD bond angle	0.944
Data scaling software	HKL-2000
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.307
High resolution limit [Å]	1.989
Number of reflections	14913
<I/σ(I)>	1.34
Completeness [%]	98.8
Redundancy	6.6

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