6D0B
Crystal structure of PT1614 bound to HIF2a-B*:ARNT-B* complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.841, 83.254, 41.474 |
| Unit cell angles | 90.00, 106.94, 90.00 |
Refinement procedure
| Resolution | 26.930 - 1.600 |
| R-factor | 0.2003 |
| Rwork | 0.198 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xt2 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.315 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmeas | 0.071 | 0.889 |
| Rpim | 0.037 | 0.480 |
| Number of reflections | 31534 | 3121 |
| <I/σ(I)> | 27 | 1.5 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 3.6 | 3.2 |
| CC(1/2) | 0.608 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Bis-Tris pH5.4, 16% PEG3350. Seeding right after setup using crushed crystals |
