6DTF
Crystal structure of Haemophilus influenzae OppA complex with KKK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0782 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.800, 92.332, 108.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.730 - 1.750 |
R-factor | 0.1776 |
Rwork | 0.175 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.317 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | Aimless (0.6.2) |
Phasing software | BALBES (1.0.0) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.730 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.055 | 0.525 |
Number of reflections | 48105 | |
<I/σ(I)> | 16.5 | 2.7 |
Completeness [%] | 97.9 | 93.8 |
Redundancy | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1M sodium acetate pH 4.6, 2.2M ammonium sulfate |