8S47
CdaA-D07 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.220, 65.070, 130.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.040 - 2.110 |
R-factor | 0.2077 |
Rwork | 0.206 |
R-free | 0.24020 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.417 |
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] | 46.040 | 50.000 | 2.210 |
High resolution limit [Å] | 2.110 | 17.000 | 2.110 |
Rmerge | 0.108 | 0.041 | 2.651 |
Rmeas | 0.117 | 0.044 | 2.861 |
Number of reflections | 41718 | 74 | 5394 |
<I/σ(I)> | 10.08 | ||
Completeness [%] | 99.9 | ||
Redundancy | 7.1 | ||
CC(1/2) | 0.999 | 0.999 | 0.500 |
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 |