6CM2
SAMHD1 HD domain bound to decitabine triphosphate
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 | PSI PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.492, 146.536, 98.552 |
Unit cell angles | 90.00, 114.61, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.140 |
R-factor | 0.17614 |
Rwork | 0.174 |
R-free | 0.22534 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bzb |
RMSD bond length | 0.016 |
RMSD bond angle | 1.860 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.132 | |
Number of reflections | 125515 | |
<I/σ(I)> | 9.3 | 0.88 |
Completeness [%] | 98.9 | |
Redundancy | 4.1 | |
CC(1/2) | 0.993 | 0.175 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | SPG buffer, PEG 1500 |