9CYR
Crystal structure of D245G mutant 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 | 89.579, 89.579, 106.234 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.790 - 1.650 |
R-factor | 0.1674 |
Rwork | 0.167 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.124 |
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] | 38.790 | 1.709 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.053 | 1.719 |
Rmeas | 0.056 | 1.853 |
Rpim | 0.018 | 0.680 |
Number of reflections | 59663 | 5868 |
<I/σ(I)> | 16.67 | 1.02 |
Completeness [%] | 99.9 | 99.16 |
Redundancy | 9.7 | 7.2 |
CC(1/2) | 1.000 | 0.417 |
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 |