6DW3
SAMHD1 Bound to Cytarabine-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 | 2016-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.340, 147.325, 98.537 |
| Unit cell angles | 90.00, 114.64, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.19205 |
| Rwork | 0.190 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.030 |
| 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] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.123 | |
| Number of reflections | 110334 | |
| <I/σ(I)> | 7 | 0.8 |
| Completeness [%] | 98.1 | 98.2 |
| Redundancy | 2.9 | 2.8 |
| CC(1/2) | 0.997 | 0.252 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 298 | 100 MM BIS-TRIS PH 6.7 AND 25% (W/V) PEG1500 |
