4ZKL
Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with JB419 (AP4A analog)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96690 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.714, 46.419, 103.413 |
| Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
| Resolution | 102.550 - 2.340 |
| R-factor | 0.189 |
| Rwork | 0.186 |
| R-free | 0.23907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tw2 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.162 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.550 | 2.420 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.096 | 0.692 |
| Number of reflections | 25059 | |
| <I/σ(I)> | 7.1 | 1.6 |
| Completeness [%] | 97.6 | 99 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 281 | 19% w/v PEG4000, 0.1 M sodium cacodylate pH 5.5 |
