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 |