8S5R
Structure of the Chlamydia pneumoniae effector SemD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-05 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.916771 |
Spacegroup name | P 1 |
Unit cell lengths | 46.999, 51.957, 58.628 |
Unit cell angles | 88.33, 105.89, 117.43 |
Refinement procedure
Resolution | 45.820 - 2.100 |
R-factor | 0.2214 |
Rwork | 0.218 |
R-free | 0.27760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.193 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.820 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 51456 | 2675 |
<I/σ(I)> | 10.61 | 2.56 |
Completeness [%] | 97.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.999 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Citric acid (pH 2.5), 20% (w/v) PEG 6000 (pH 4) |