5SDG
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z136583524
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 | 2019-08-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91589 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.428, 116.397, 147.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.320 - 1.950 |
R-factor | 0.2251 |
Rwork | 0.224 |
R-free | 0.24730 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5jwf |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
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] | 91.317 | 91.317 | 2.090 |
High resolution limit [Å] | 1.949 | 5.901 | 1.949 |
Rmeas | 0.081 | 0.037 | 1.169 |
Rpim | 0.031 | 0.014 | 0.474 |
Total number of observations | 652150 | 31952 | 29520 |
Number of reflections | 98097 | ||
<I/σ(I)> | 14.5 | 42.6 | 1.7 |
Completeness [%] | 95.8 | 99.9 | 80.4 |
Redundancy | 6.6 | 6.5 | 6 |
CC(1/2) | 0.999 | 0.999 | 0.611 |
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 |