4TNR
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dATP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-29 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.916, 141.697, 97.524 |
| Unit cell angles | 90.00, 115.40, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.750 |
| R-factor | 0.2248 |
| Rwork | 0.224 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bzb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.480 |
| Data reduction software | HKL-2000 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.132 | 0.073 | |
| Total number of observations | 215699 | ||
| Number of reflections | 54810 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 99.4 | 94.1 | 99.6 |
| Redundancy | 3.9 | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 298 | SPG buffer, PEG 1500 |
