4YT9
Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound.
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 | 2013-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.560, 60.300, 113.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.010 - 1.500 |
| R-factor | 0.1571 |
| Rwork | 0.157 |
| R-free | 0.17710 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Arcimboldo |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.010 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.041 | 0.190 |
| Number of reflections | 64233 | |
| <I/σ(I)> | 21 | 7.4 |
| Completeness [%] | 98.5 | 95.7 |
| Redundancy | 4.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293.15 | 100mM sodium acetate (pH4.5), 25% [w/v] polyethylene glycol 3350 |
