4I80
Crystal structure of human menin in complex with a high-affinity macrocyclic peptidomimetics
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 141.379, 141.379, 92.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.710 - 3.100 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.246 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.210 |
| High resolution limit [Å] | 3.096 | 3.100 |
| Rmerge | 0.098 | 0.291 |
| Number of reflections | 16363 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 92.4 | 73.1 |
| Redundancy | 25.5 | 20.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | 2.3 M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K |
