9S89
N-terminal 40kDa fragment of human PMS2 with covalent ligand NP1867
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.292, 82.292, 110.801 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.602 - 2.000 |
| Rwork | 0.205 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.537 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.150 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 1.960 |
| Rmeas | 0.080 | 2.010 |
| Rpim | 0.018 | 0.436 |
| Number of reflections | 29917 | 2188 |
| <I/σ(I)> | 19.6 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.5 | 21.1 |
| CC(1/2) | 1.000 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 282 | 20% PEG3350, 0.2 M potassium thiocyanate and 0.1 M Hepes pH 7.0 |
