8C4R
CdaA-adenine 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 | 2022-10-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97702 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.740, 64.580, 129.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.590 - 1.550 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23560 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.137 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.550 | 17.000 | 1.550 |
| Rmerge | 0.052 | 0.029 | 3.608 |
| Rmeas | 0.053 | 0.032 | 3.733 |
| Number of reflections | 53052 | 56 | 5183 |
| <I/σ(I)> | 20.21 | ||
| Completeness [%] | 99.9 | ||
| Redundancy | 8 | ||
| CC(1/2) | 1.000 | 0.999 | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 3.7 M NaCl, 0.1M Na-HEPES pH 8.5 and 3 % DMSO |
