9CYP
Crystal structure of I19V 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 | 89.518, 89.518, 106.110 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.760 - 1.990 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.250 |
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] | 44.760 | 2.061 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.187 | 2.611 |
Rmeas | 0.198 | 2.771 |
Rpim | 0.065 | 0.921 |
Number of reflections | 34197 | 3356 |
<I/σ(I)> | 6.02 | 0.91 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.1 | 9 |
CC(1/2) | 0.989 | 0.354 |
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 |