9B8D
Structure of Legionella pneumophila Ceg10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 85.947, 112.322, 55.189 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.920 - 1.720 |
| R-factor | 0.2228 |
| Rwork | 0.220 |
| R-free | 0.25420 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.761 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.710 | 4.640 | 1.710 |
| Rmerge | 0.053 | 0.039 | 0.582 |
| Rmeas | 0.058 | 0.042 | 0.653 |
| Rpim | 0.022 | 0.016 | 0.283 |
| Total number of observations | 180331 | ||
| Number of reflections | 28293 | 1592 | 906 |
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 96.1 | 99.7 | 62.6 |
| Redundancy | 6.4 | 7 | 4.1 |
| CC(1/2) | 0.996 | 0.997 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 1.5 M sodium phosphate monobasic, 0.5 M potassium phosphate dibasic, 10 mM sodium phosphate dibasic/citrate, 25% ethylene glycol |
