5KM6
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside phosphoramidate substrate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 40.163, 40.163, 144.239 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.089 - 1.600 |
| R-factor | 0.1725 |
| Rwork | 0.172 |
| R-free | 0.19130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kpf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.376 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 144.239 | 144.239 | 1.605 |
| High resolution limit [Å] | 1.600 | 7.426 | 1.600 |
| Rmerge | 0.062 | 0.035 | 0.336 |
| Rmeas | 0.065 | ||
| Rpim | 0.019 | ||
| Total number of observations | 199943 | ||
| Number of reflections | 16559 | ||
| <I/σ(I)> | 25.9 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 12.1 | 8.9 | 12.7 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES, 32% PEG 8000 |
