8C4M
CdaA-Adenosine 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 | 2020-11-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97702 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.140, 64.520, 129.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.710 - 1.510 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24930 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.656 |
| 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 | 1.570 |
| High resolution limit [Å] | 1.510 | 17.000 | 1.510 |
| Rmerge | 0.051 | 0.025 | 3.986 |
| Rmeas | 0.053 | 0.027 | 4.141 |
| Number of reflections | 56384 | 58 | 5625 |
| <I/σ(I)> | 20.41 | ||
| Completeness [%] | 99.9 | ||
| Redundancy | 8 | ||
| CC(1/2) | 1.000 | 1.000 | 0.662 |
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 |
