7B63
Structure of NUDT15 in complex with TH7755
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.602, 45.641, 67.023 |
| Unit cell angles | 90.00, 116.00, 90.00 |
Refinement procedure
| Resolution | 60.240 - 1.600 |
| Rwork | 0.167 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lpg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.827 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.240 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 45919 | 2312 |
| <I/σ(I)> | 15.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1 M Tris pH 8.0, 0.2 M sodium acetate, 38% PEG 4000 |
