6SUC

Human PTPRU D1 domain, oxidised form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	C 2 2 21
Unit cell lengths	62.090, 107.920, 89.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 1.970
R-factor	0.2154
Rwork	0.214
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sub
RMSD bond length	0.005
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.280	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.128	1.061
Rpim	0.055	0.458
Number of reflections	21600	1071
<I/σ(I)>	9	1.6
Completeness [%]	100.0	100
Redundancy	6.4	6.3
CC(1/2)	0.995	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BICINE, pH 9, 1 M lithium chloride, 20% (w/v) polyethylene glycol 6000