7PSX
Structure of HOXB13 bound to hydroxymethylated DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.153, 55.541, 101.080 |
| Unit cell angles | 88.02, 81.46, 84.94 |
Refinement procedure
| Resolution | 47.000 - 2.000 |
| R-factor | 0.2608 |
| Rwork | 0.260 |
| R-free | 0.28310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5edn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.850 | 48.850 | 2.020 |
| High resolution limit [Å] | 1.970 | 9.050 | 1.970 |
| Rmerge | 0.284 | 0.162 | 5.776 |
| Rmeas | 0.326 | 0.184 | 6.922 |
| Rpim | 0.158 | 0.086 | 3.728 |
| Total number of observations | 222658 | 2340 | 10142 |
| Number of reflections | 55783 | 575 | 3147 |
| <I/σ(I)> | 2.4 | 6.4 | 0.3 |
| Completeness [%] | 97.2 | 97.1 | 77.7 |
| Redundancy | 4 | 4.1 | 3.2 |
| CC(1/2) | 0.970 | 0.981 | 0.074 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 295 | 27% PEG 1000, 8% PEG 200, 0.15M KCl, 0.1M MgCl2, 0.05M Bis-Tris |
