8DU7
Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE 7B2 |
Synchrotron site | CHESS |
Beamline | 7B2 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2022-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 89.350, 89.350, 105.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.680 - 2.400 |
R-factor | 0.1973 |
Rwork | 0.195 |
R-free | 0.23710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t49 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.326 |
Data reduction software | XDS (VERSION Jan 10, 2022 BUILT=20220220) |
Data scaling software | XSCALE (VERSION Jan 10, 2022 BUILT=20220220) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.680 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.661 | 4.230 |
Rmeas | 0.693 | 4.750 |
Rpim | 0.201 | 1.307 |
Number of reflections | 19515 | 1416 |
<I/σ(I)> | 4.62 | 1.08 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 11.45 | 11.06 |
CC(1/2) | 0.881 | 0.135 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 0.1 M MgCl2, 0.1 M HEPES pH 7.0, 12-14.5% PEG 4000 |