6D09
Crystal structure of PT2440 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) | 0.97915 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.216, 83.832, 41.410 |
Unit cell angles | 90.00, 106.25, 90.00 |
Refinement procedure
Resolution | 28.840 - 1.850 |
R-factor | 0.2293 |
Rwork | 0.227 |
R-free | 0.28160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xt2 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.200 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmeas | 0.084 | |
Rpim | 0.044 | 0.762 |
Number of reflections | 20464 | 2004 |
<I/σ(I)> | 20.2 | 1 |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 3.5 | 2.8 |
CC(1/2) | 0.454 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 50 mM Bis-Tris pH5.4 and 16% PEG3350. Seeding with crushed crystals right after setup |