6I0X
Porphyromonas gingivalis peptidylarginine deminase (PPAD) mutant G231N/E232T/N235D in complex with Cl-amidine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979294 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.840, 71.870, 104.720 |
| Unit cell angles | 90.00, 95.86, 90.00 |
Refinement procedure
| Resolution | 62.080 - 1.600 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ytb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.100 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.074 | 0.562 |
| Number of reflections | 119834 | |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 98.6 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM sodium acetate, 15% [w/v] polyethylene glycol 3,350, pH 4.6 |
