6X3D
Crystal structure of PT3388 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 | 2015-02-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97932 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.253, 84.006, 41.344 |
| Unit cell angles | 90.00, 106.21, 90.00 |
Refinement procedure
| Resolution | 28.850 - 2.000 |
| R-factor | 0.2145 |
| Rwork | 0.211 |
| R-free | 0.27690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xt2 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.166 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 3.990 | 2.000 |
| Rmerge | 0.056 | 0.034 | 0.866 |
| Rmeas | 0.093 | 0.040 | |
| Rpim | 0.049 | 0.021 | 0.565 |
| Total number of observations | 74179 | ||
| Number of reflections | 15771 | 2043 | 1809 |
| <I/σ(I)> | 21.2 | ||
| Completeness [%] | 96.4 | 96.4 | 87.4 |
| Redundancy | 3.6 | 3.6 | 3.1 |
| CC(1/2) | 0.997 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Bis-Tris, pH5.4 and 16% PEG 3350 |
