6D09
Crystal structure of PT2440 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 | 2013-07-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.216, 83.832, 41.410 |
| Unit cell angles | 90.00, 106.25, 90.00 |
Refinement procedure
| Resolution | 28.840 - 1.850 |
| R-factor | 0.2293 |
| Rwork | 0.227 |
| R-free | 0.28160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xt2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.200 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.084 | |
| Rpim | 0.044 | 0.762 |
| Number of reflections | 20464 | 2004 |
| <I/σ(I)> | 20.2 | 1 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 3.5 | 2.8 |
| CC(1/2) | 0.454 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 50 mM Bis-Tris pH5.4 and 16% PEG3350. Seeding with crushed crystals right after setup |
