5AK8
Structure of C351A mutant of Porphyromonas gingivalis peptidylarginine deiminase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.790, 84.090, 55.460 |
| Unit cell angles | 90.00, 92.64, 90.00 |
Refinement procedure
| Resolution | 64.800 - 1.480 |
| R-factor | 0.12921 |
| Rwork | 0.127 |
| R-free | 0.16444 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.580 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.800 | 1.520 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 73831 | |
| <I/σ(I)> | 10.4 | 2.1 |
| Completeness [%] | 95.3 | 93.9 |
| Redundancy | 3.4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M AMMONIUM SULFATE, 30% PEG5000MME, 0.1M MES PH 6.5 |
