8U1E

Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group P43212 with two distinctly ordered chains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9686
Spacegroup name	P 43 21 2
Unit cell lengths	88.412, 88.412, 163.001
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.590 - 1.430
R-factor	0.1523
Rwork	0.150
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.041
Data reduction software	DIALS (3.71)
Data scaling software	DIALS (3.7.1)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.590	1.480
High resolution limit [Å]	1.430	1.430
Rmerge	0.147	9.777
Rmeas	0.150	9.974
Rpim	0.029	1.955
Number of reflections	119377	11763
<I/σ(I)>	10.82	0.31
Completeness [%]	97.9	85.28
Redundancy	25.6	25.7
CC(1/2)	1.000	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277.15	0.1M MgCl2, 0.1 M Hepes pH 7.0, 15% w/v PEG 4000