6X21
Crystal structure of PT1673 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) | 0.9715 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.793, 83.504, 41.373 |
Unit cell angles | 90.00, 106.78, 90.00 |
Refinement procedure
Resolution | 26.970 - 1.540 |
R-factor | 0.206 |
Rwork | 0.205 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d0c |
RMSD bond length | 0.025 |
RMSD bond angle | 2.398 |
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 | 1.570 |
High resolution limit [Å] | 1.460 | 3.960 | 1.540 |
Rmerge | 0.058 | 0.026 | 0.939 |
Total number of observations | 134679 | ||
Number of reflections | 38676 | 2057 | 1891 |
<I/σ(I)> | 11.2 | ||
Completeness [%] | 92.8 | 96.3 | 91.2 |
Redundancy | 3.5 | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Bis-Tris, pH5.4, 16% PEG3350 |