4YWY
Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-18 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.429, 149.540, 96.210 |
| Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
| Resolution | 32.990 - 1.950 |
| R-factor | 0.1663 |
| Rwork | 0.164 |
| R-free | 0.21101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2afm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.912 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 32.990 |
| High resolution limit [Å] | 1.950 |
| Number of reflections | 87147 |
| <I/σ(I)> | 6 |
| Completeness [%] | 99.0 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281 | 0.1 M MES buffer pH 6.5, 1.6 M ammonium sulfate |
