6MBO
GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.732, 88.306, 95.124 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.049 - 1.591 |
| R-factor | 0.1811 |
| Rwork | 0.181 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fpd |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.648 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.050 | 1.650 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.149 | |
| Rpim | 0.056 | 0.507 |
| Number of reflections | 174976 | 13524 |
| <I/σ(I)> | 12.7 | 2 |
| Completeness [%] | 91.4 | 80.7 |
| Redundancy | 6.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 15% PEG 4000, 20% isopropanol and 100mM citrate (pH 5.5) |
