4ZWE
Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant
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 | 2015-02-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.083, 146.091, 98.463 |
| Unit cell angles | 90.00, 115.03, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.810 |
| R-factor | 0.2101 |
| Rwork | 0.208 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.487 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.194 | 0.081 | |
| Rmeas | 0.199 | 0.088 | |
| Rpim | 0.099 | 0.033 | 0.736 |
| Total number of observations | 379452 | ||
| Number of reflections | 54764 | ||
| <I/σ(I)> | 3.2 | ||
| Completeness [%] | 98.7 | 98 | 99.7 |
| Redundancy | 6.9 | 6.9 | 7.1 |
| CC(1/2) | 0.994 | 0.333 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.4 | 298 | SPG buffer, PEG 1500 |
