6DW4
SAMHD1 Bound to Cladribine-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 | 2016-08-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.324, 142.272, 98.438 |
| Unit cell angles | 90.00, 114.08, 90.00 |
Refinement procedure
| Resolution | 89.870 - 1.990 |
| R-factor | 0.17098 |
| Rwork | 0.169 |
| R-free | 0.20202 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.154 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.870 | 2.030 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Rmerge | 0.080 | 0.682 |
| Number of reflections | 129994 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 95.1 | 87.7 |
| Redundancy | 3 | 2.7 |
| CC(1/2) | 0.999 | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | 100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500 |
