4QUN

Crystal structure of the PTPN3 (PTPH1) catalytic domain C842S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-09-09
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5400
Spacegroup name	C 2 2 21
Unit cell lengths	94.740, 97.000, 138.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.764 - 1.860
R-factor	0.1785
Rwork	0.177
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b49
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.080	0.880
Number of reflections	53391
<I/σ(I)>	18.2	2.2
Completeness [%]	99.5	100
Redundancy	6.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Hepes, 12% PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K