6FEW

DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1%

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	40.580, 62.051, 63.419
Unit cell angles	90.00, 106.58, 90.00

Refinement procedure

Resolution	43.420 - 1.440
R-factor	0.2184
Rwork	0.217
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.007
RMSD bond angle	1.089
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1803)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.420	1.530
High resolution limit [Å]	1.440	1.440
Rmerge	0.058	0.847
Rmeas	0.066	0.015
Number of reflections	53860	694
<I/σ(I)>	9.34	0.65
Completeness [%]	98.6	99.6
Redundancy	3.26	3.36
CC(1/2)	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	11.5 mg/mL protein in 20mM HEPES/NaOH pH7.5, 5mM DTT, 5% glycerol, 0.1M NaCl mixed 3:1 in 600 nL with 0.1M Ca acetate, 12% PEG 8K, 0.1M Na cacodylate pH5.5