4QPP
The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE
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 | 2014-03-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 133.884, 133.884, 133.419 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.520 |
| R-factor | 0.1915 |
| Rwork | 0.191 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hc4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.117 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.560 |
| High resolution limit [Å] | 2.520 | 6.830 | 2.520 |
| Rmerge | 0.133 | 0.032 | 0.904 |
| Number of reflections | 41807 | ||
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 8.1 | 7.3 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 2.0 M NaForm, 0.1 M NaoAc, pH 4.6, vapor diffusion hanging drop, temperature 291K, VAPOR DIFFUSION, HANGING DROP |
