4QEB

Dcps in complex with covalent inhibitor targeting Tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	101.250, 105.230, 139.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.890 - 3.210
R-factor	0.214
Rwork	0.211
R-free	0.27630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xmm
RMSD bond length	0.011
RMSD bond angle	1.230
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	82.030
High resolution limit [Å]	3.200
Rmerge	0.317
Number of reflections	23629
<I/σ(I)>	3.3
Completeness [%]	93.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	295	1:1 protein (4 mg/mL in 25 mM NaCl, 20 mM Tris-HCl, pH 8.0, 1 mM TCEP) to precipitant (23-25% PEG3350, 0.1 M potassium phosphate monobasic, 0.05 M sodium chloride, 26% glycerol, crystals soaked in 1 mM inhibitor overnight, VAPOR DIFFUSION, HANGING DROP, temperature 295K