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 |