5MC1
Crystal Structure of Asp276Asn 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 | 2014-11-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.419, 106.848, 216.299 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.900 - 1.430 |
| R-factor | 0.13 |
| Rwork | 0.129 |
| R-free | 0.15700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m4j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.215 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.899 | 1.510 |
| High resolution limit [Å] | 1.428 | 1.430 |
| Rmerge | 0.098 | 1.139 |
| Number of reflections | 219713 | |
| <I/σ(I)> | 13.04 | 1.67 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 7.34 | 7.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 278 | 10mM NaBorate, 760mM NaCitrate |
