8Z45
SFX structure of CraCRY 300 us after photoexcitation of the oxidized protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL2 |
Synchrotron site | SACLA |
Beamline | BL2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2021-05-25 |
Detector | MPCCD |
Wavelength(s) | 1.24 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.840, 65.600, 153.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.150 - 2.000 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fn3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.608 |
Data reduction software | CrystFEL |
Data scaling software | pointless |
Phasing software | REFMAC |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.800 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 48440 | 2388 |
<I/σ(I)> | 5.98 | 1.37 |
Completeness [%] | 99.9 | 100 |
Redundancy | 320 | 84 |
CC(1/2) | 0.987 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.6 | 277 | 0.1 M MES, pH 5.6 (w/v) PEG 4000 |