9S5R
Time-resolved SFX series of the DtpAa Y389F variant mixed with hydrogen peroxide -time 5 s
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 300 |
| Detector technology | CCD |
| Collection date | 2023-09-16 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.32 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.996, 68.279, 75.305 |
| Unit cell angles | 90.00, 105.74, 90.00 |
Refinement procedure
| Resolution | 16.840 - 1.800 |
| R-factor | 0.1507 |
| Rwork | 0.149 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.977 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.xfel.merge |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.840 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 65987 | 6556 |
| <I/σ(I)> | 6.084 | 1.691 |
| Completeness [%] | 99.9 | |
| Redundancy | 40.66 | |
| CC(1/2) | 0.979 | 0.663 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 291 | 12% v/v PEG 3350 , 100 mM HEPES |
