5BVK

Fragment-based discovery of potent and selective DDR1/2 inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2009-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0726
Spacegroup name	P 21 21 21
Unit cell lengths	62.026, 71.505, 76.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.000 - 2.290
R-factor	0.1897
Rwork	0.187
R-free	0.23240
RMSD bond length	0.010
RMSD bond angle	1.506
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall
Low resolution limit [Å]	52.000
High resolution limit [Å]	2.270
Number of reflections	14992
<I/σ(I)>	6
Completeness [%]	99.7
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	15-25% (W/V) PEG3350, 0.2M NH4I