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 |