6X2H
Crystal structure of PT2863 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 | 2014-04-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9719 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.045, 84.443, 41.473 |
| Unit cell angles | 90.00, 106.73, 90.00 |
Refinement procedure
| Resolution | 29.040 - 2.000 |
| R-factor | 0.2031 |
| Rwork | 0.200 |
| R-free | 0.25830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xt2 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.268 |
| 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 | 2.020 |
| High resolution limit [Å] | 2.000 | 4.610 | 1.960 |
| Rmerge | 0.085 | 0.036 | |
| Rmeas | 0.101 | 0.042 | |
| Rpim | 0.054 | 0.022 | 0.670 |
| Total number of observations | 81994 | ||
| Number of reflections | 16181 | 1336 | 1290 |
| <I/σ(I)> | 22.9 | ||
| Completeness [%] | 99.7 | 98.6 | 99.9 |
| Redundancy | 3.5 | 3.5 | 3.4 |
| CC(1/2) | 0.998 | 0.334 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Bis-Tris pH5.4, 16% 3350 |
