6X37
Crystal structure of PT3245 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 | 2014-10-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.298, 83.974, 41.433 |
Unit cell angles | 90.00, 106.31, 90.00 |
Refinement procedure
Resolution | 41.990 - 1.940 |
R-factor | 0.2196 |
Rwork | 0.216 |
R-free | 0.28240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xt2 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.170 |
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 | 1.980 |
High resolution limit [Å] | 1.940 | 4.780 | 1.940 |
Rmerge | 0.067 | 0.028 | 0.804 |
Rmeas | 0.079 | 0.033 | 0.952 |
Rpim | 0.041 | 0.017 | 0.506 |
Total number of observations | 74713 | ||
Number of reflections | 17604 | 1194 | 1118 |
<I/σ(I)> | 27.4 | ||
Completeness [%] | 98.6 | 96.4 | 92.9 |
Redundancy | 3.6 | 3.5 | 3.2 |
CC(1/2) | 0.998 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | Bis-Tris, pH5.4, 16% PEG 3350 |