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 |