8S46
CdaA-E01 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-15 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.790, 64.650, 130.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.840 - 1.990 |
R-factor | 0.2264 |
Rwork | 0.225 |
R-free | 0.25870 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.002 |
RMSD bond angle | 0.493 |
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] | 45.840 | 50.000 | 2.090 |
High resolution limit [Å] | 1.990 | 17.000 | 1.990 |
Rmerge | 0.076 | 0.019 | 2.589 |
Rmeas | 0.086 | 0.023 | 2.933 |
Number of reflections | 44332 | 62 | 6079 |
<I/σ(I)> | 11.58 | ||
Completeness [%] | 99.8 | ||
Redundancy | 4.4 | ||
CC(1/2) | 0.999 | 0.999 | 0.401 |
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 |