4YTG
Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) mutant C351A in complex with dipeptide Met-Arg.
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 | 2014-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.360, 59.320, 84.610 |
| Unit cell angles | 90.00, 126.59, 90.00 |
Refinement procedure
| Resolution | 48.570 - 1.800 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yt9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.900 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.529 |
| Number of reflections | 38882 | |
| <I/σ(I)> | 22.5 | 3.7 |
| Completeness [%] | 99.3 | 98.9 |
| Redundancy | 6.5 | 5.6 |
| CC(1/2) | 0.927 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 100mM tri-sodium citrate, 20% [w/v] polyethylene glycol 3,000, pH5.5-6.5 |
