5MBY
Crystal Structure of Arg184Gln 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 | 2016-08-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.568, 107.091, 217.373 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.030 - 1.550 |
| R-factor | 0.156 |
| Rwork | 0.156 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m4j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.033 | 1.640 |
| High resolution limit [Å] | 1.549 | 1.550 |
| Rmerge | 0.122 | 1.375 |
| Number of reflections | 173821 | |
| <I/σ(I)> | 11.37 | 1.29 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 6.74 | 6.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.9 | 293 | 100mM NaCacodylate, 690-760mM NaCitrate |
