6DWD
SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric 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 | 2017-02-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.477, 142.233, 98.790 |
| Unit cell angles | 90.00, 114.10, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.17752 |
| Rwork | 0.176 |
| R-free | 0.20155 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.133 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.086 | |
| Number of reflections | 209481 | 10532 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 94.1 | 94.7 |
| Redundancy | 4.2 | 4 |
| CC(1/2) | 0.999 | 0.283 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | 100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500 |
