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 |