5MC5
Crystal Structure of delGlu452 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 | 2015-05-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 103.779, 108.043, 211.341 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.580 - 1.900 |
R-factor | 0.148 |
Rwork | 0.148 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m4j |
RMSD bond length | 0.005 |
RMSD bond angle | 0.886 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.100 | 2.010 |
High resolution limit [Å] | 1.899 | 1.900 |
Rmerge | 0.114 | 1.022 |
Number of reflections | 93478 | |
<I/σ(I)> | 12.9 | 1.75 |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 6.75 | 6.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 10mM NaBorate, 690-760mM NaCitrate |