7D17
Crystal structure of Macrostomum lignano glutaminyl cyclase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-27 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.855, 71.671, 49.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.466 - 2.998 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mhn |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.090 |
| High resolution limit [Å] | 2.980 | 2.998 |
| Rmerge | 0.196 | 0.627 |
| Number of reflections | 6437 | 618 |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 5.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.1 M sodium HEPES, pH 7.5, 70% (v/v) 2-methyl-2,4-pentanediol |
