5SDL
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z321318226
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91589 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.920, 117.470, 147.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.820 - 2.440 |
| R-factor | 0.2109 |
| Rwork | 0.209 |
| R-free | 0.23930 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5jwf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (18-SEP-2020)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.820 | 59.820 | 2.500 |
| High resolution limit [Å] | 2.440 | 10.910 | 2.440 |
| Rmerge | 0.081 | 0.025 | 1.651 |
| Rmeas | 0.088 | 0.028 | 1.783 |
| Rpim | 0.034 | 0.012 | 0.672 |
| Total number of observations | 445964 | 5196 | 34057 |
| Number of reflections | 66710 | ||
| <I/σ(I)> | 14.2 | 48.3 | 1.1 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 6.7 | 6 | 7 |
| CC(1/2) | 0.998 | 0.997 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | Morpheus Buffer system 1, 0.06M Divalents, 30% v/v Precipitant Mix 3 |
