5MC3
Crystal Structure of Glu412Lys mutant of Human Prolidase with Mn ions and GlyPro ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.590, 106.412, 217.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.790 - 1.520 |
| R-factor | 0.131 |
| Rwork | 0.131 |
| R-free | 0.15800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m4j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.790 | 1.610 |
| High resolution limit [Å] | 1.518 | 1.520 |
| Rmerge | 0.084 | 0.764 |
| Number of reflections | 183636 | |
| <I/σ(I)> | 12.86 | 1.82 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 6.75 | 5.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 10mM NaBorate, 690-760mM NaCitrate |
