3PE6
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
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 | CCD |
| Collection date | 2007-12-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.947, 128.145, 60.602 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.420 - 1.350 |
| R-factor | 0.1148 |
| Rwork | 0.114 |
| R-free | 0.14660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a8q |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.435 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.062 | 0.319 |
| Number of reflections | 79919 | |
| <I/σ(I)> | 34.2 | 1.76 |
| Completeness [%] | 89.2 | 53.3 |
| Redundancy | 2.2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | PEGMME5000 MES glucopyranoside, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
