8C4P
CdaA-compound 7 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) | 0.9770 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.760, 64.200, 128.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.460 - 1.200 |
R-factor | 0.1399 |
Rwork | 0.139 |
R-free | 0.16220 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.904 |
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 | 1.250 |
High resolution limit [Å] | 1.200 | 17.000 | 1.200 |
Rmerge | 0.047 | 0.028 | 1.201 |
Rmeas | 0.051 | 0.032 | 1.482 |
Number of reflections | 203653 | 76 | 21288 |
<I/σ(I)> | 13.92 | ||
Completeness [%] | 97.3 | ||
Redundancy | 8 | ||
CC(1/2) | 0.999 | 0.998 | 0.411 |
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 |