7YEB
TR-SFX MmCPDII-DNA complex: 3.35 ns snapshot. Includes 3.35 ns, dark, and extrapolated structure factors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SwissFEL ARAMIS BEAMLINE ESA |
Synchrotron site | SwissFEL ARAMIS |
Beamline | ESA |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2021-09-20 |
Detector | PSI JUNGFRAU 16M |
Wavelength(s) | 1.0875 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.470, 115.930, 169.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.740 - 2.200 |
R-factor | 0.2323 |
Rwork | 0.231 |
R-free | 0.24990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7yc7 |
RMSD bond length | 0.019 |
RMSD bond angle | 0.744 |
Data reduction software | CrystFEL |
Data scaling software | pointless |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.740 | 2.140 |
High resolution limit [Å] | 2.120 | 2.120 |
Number of reflections | 81528 | 4004 |
<I/σ(I)> | 11.09 | 1.99 |
Completeness [%] | 100.0 | 100 |
Redundancy | 1073.4 | 577.9 |
CC(1/2) | 0.996 | 0.565 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.6 | 296 | 100 mM Sodium Acetate pH 4.6 250 mM ammonium sulfate 4% PEG4000 (w/v) 50 mM DTT |