5BK8

Cancer-associated SHP2/T507K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	54.699, 203.176, 44.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.658 - 2.250
R-factor	0.2014
Rwork	0.198
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dgp
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.140	0.811
Total number of observations	105858
Number of reflections	23674	1139
<I/σ(I)>	12.66	1.487
Completeness [%]	95.7	93.8
Redundancy	4.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16% PEG3350, 200 mM LiCl