6X28
Crystal structure of PT2243 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) | 0.9715 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.189, 83.787, 41.408 |
Unit cell angles | 90.00, 106.42, 90.00 |
Refinement procedure
Resolution | 28.820 - 1.920 |
R-factor | 0.2268 |
Rwork | 0.224 |
R-free | 0.28670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xt2 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.049 |
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] | 30.000 | 30.000 | 2.000 |
High resolution limit [Å] | 1.920 | 3.990 | 1.920 |
Rmerge | 0.098 | 0.030 | 1.204 |
Rmeas | 0.116 | 0.035 | 1.464 |
Rpim | 0.061 | 0.018 | 0.822 |
Number of reflections | 18367 | 2083 | 2029 |
<I/σ(I)> | 14.3 | ||
Completeness [%] | 99.8 | 99.4 | 99.2 |
Redundancy | 3.5 | 3.7 | 2.9 |
CC(1/2) | 0.998 | 0.390 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Bis-Tris, pH5.4, 16% PEG3350 |