6PKC
Inhibition of Human Menin by VTP-50469
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1. |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.970, 86.080, 202.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.650 - 1.900 |
| R-factor | 0.17036 |
| Rwork | 0.168 |
| R-free | 0.20642 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gpq |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.006 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.970 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.300 |
| Number of reflections | 81943 | 5650 |
| <I/σ(I)> | 19.9 | |
| Completeness [%] | 99.9 | 99.97 |
| Redundancy | 6.4 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 14%(w/v) PEG3350 0.2M Potassium thiocyanate 0.1M MES pH=6.0 15%(v/v) Ethylene glycol |
