5SDQ
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434887
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 2M |
Wavelength(s) | 0.91589 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.233, 116.884, 147.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.520 - 1.920 |
R-factor | 0.2317 |
Rwork | 0.231 |
R-free | 0.24690 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5jwf |
RMSD bond length | 0.007 |
RMSD bond angle | 0.830 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3 (18-SEP-2020)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.522 | 76.522 | 2.070 |
High resolution limit [Å] | 1.934 | 5.731 | 1.934 |
Rmeas | 0.068 | 0.034 | 1.138 |
Rpim | 0.026 | 0.013 | 0.445 |
Total number of observations | 710620 | 35087 | 33367 |
Number of reflections | 107360 | ||
<I/σ(I)> | 15 | 44.3 | 1.5 |
Completeness [%] | 96.1 | 99.8 | 71.5 |
Redundancy | 6.6 | 6.5 | 6.2 |
CC(1/2) | 0.999 | 0.999 | 0.677 |
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 |