3ZM0

Catalytic domain of human SHP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-26
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	40.216, 42.257, 49.197
Unit cell angles	72.52, 81.63, 74.73

Refinement procedure

Resolution	19.600 - 1.500
R-factor	0.18559
Rwork	0.184
R-free	0.21342
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b7o
RMSD bond length	0.022
RMSD bond angle	1.862
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.050	0.020
Number of reflections	40770
<I/σ(I)>	17.4	5.5
Completeness [%]	86.0	51.6
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				16-22 % (W/V) PEG3350, 0.1-0.2 M SODIUM CITRATE