9CYO
Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2024-02-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 89.541, 89.541, 106.212 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.820 - 1.940 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.226 |
Data reduction software | DIALS (3.7.1) |
Data scaling software | Aimless (0.8.2) |
Phasing software | MOLREP (11.0) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.820 | 2.009 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.143 | 2.884 |
Rmeas | 0.151 | 3.043 |
Rpim | 0.048 | 0.961 |
Number of reflections | 36906 | 3639 |
<I/σ(I)> | 8.96 | 0.83 |
Completeness [%] | 99.8 | 99.92 |
Redundancy | 9.7 | 9.8 |
CC(1/2) | 0.928 | 0.349 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.3 M magnesium acetate, 0.1 M HEPES pH 7.5, 0.1% beta-mercaptoethanol, 13.5% PEG 8000, 2% ethanol |