8C4J
CdaA-compound 4 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 180 |
| Detector technology | PIXEL |
| Collection date | 2022-11-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8266 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.820, 64.550, 129.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.940 - 1.830 |
| R-factor | 0.2172 |
| Rwork | 0.216 |
| R-free | 0.24090 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.913 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.830 | 17.000 | 1.830 |
| Rmerge | 0.079 | 0.033 | 3.122 |
| Rmeas | 0.082 | 0.035 | 3.246 |
| Number of reflections | 31111 | 56 | 4502 |
| <I/σ(I)> | 16.15 | ||
| Completeness [%] | 99.9 | ||
| Redundancy | 8 | ||
| CC(1/2) | 0.999 | 1.000 | 0.770 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 3.7 M NaCl, 0.1M Na-HEPES pH 8.5 and 3 % DMSO |
