4YTB
Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) in complex with dipeptide Asp-Gln.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.534, 71.306, 105.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.150 - 1.400 |
| R-factor | 0.1456 |
| Rwork | 0.146 |
| R-free | 0.14920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yt9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 46.150 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.042 | 0.305 |
| Number of reflections | 90283 | |
| <I/σ(I)> | 36.3 | 8.5 |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 12.6 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 100mM tri-sodium citrate, 2M ammonium sulfate, pH5.5-6.5 |
