6DW5
SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.686, 142.901, 98.907 |
| Unit cell angles | 90.00, 113.92, 90.00 |
Refinement procedure
| Resolution | 90.410 - 1.930 |
| R-factor | 0.17487 |
| Rwork | 0.173 |
| R-free | 0.20536 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.254 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.093 | 0.775 |
| Number of reflections | 148608 | 7362 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 97.0 | 96.4 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.998 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | 100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500 |
