8OHH
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G05
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-06 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.800, 39.030, 68.070 |
| Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
| Resolution | 46.880 - 1.300 |
| R-factor | 0.1686 |
| Rwork | 0.167 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.084 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 5.860 | 1.340 |
| High resolution limit [Å] | 1.300 | 4.140 | 1.310 |
| Rmerge | 0.081 | 0.021 | 2.759 |
| Rmeas | 0.101 | 0.026 | 3.434 |
| Number of reflections | 138009 | 2781 | 10120 |
| <I/σ(I)> | 7.66 | ||
| Completeness [%] | 94.3 | ||
| Redundancy | 2.6 | ||
| CC(1/2) | 0.999 | 0.999 | 0.215 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5 0.1 M Magnesium chloride 30 % (v/v) PEG 400 20 % (v/v) DMSO |
