6SUB

Human PTPRU D1 domain, reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	61.821, 107.887, 88.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.970 - 1.720
R-factor	0.1828
Rwork	0.182
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c7s
RMSD bond length	0.012
RMSD bond angle	1.109
Data scaling software	Aimless
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.970	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.148	0.904
Rpim	0.043	0.284
Number of reflections	31768	1534
<I/σ(I)>	9.7
Completeness [%]	100.0	99
Redundancy	12.9	11
CC(1/2)	0.998	0.501

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