5AK7
Structure of wt 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 | 101.860, 84.660, 55.660 |
| Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
| Resolution | 65.080 - 1.460 |
| R-factor | 0.12952 |
| Rwork | 0.128 |
| R-free | 0.15402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.270 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | Rosetta |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.080 | 1.500 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.040 | 0.490 |
| Number of reflections | 79913 | |
| <I/σ(I)> | 14.3 | 2.2 |
| Completeness [%] | 97.9 | 95 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 22% PEG3350, 0.1M BIS-TRIS PH 5.5, 0.1M LITHIUM SULFATE |
