8BKN
Carboxymyoglobin dark state for comparison with 5 mJ/cm2 time series
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | OTHER |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-05-01 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.03 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.000, 28.400, 35.300 |
Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
Resolution | 30.120 - 1.290 |
R-factor | 0.1779 |
Rwork | 0.175 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d5r |
RMSD bond length | 0.012 |
RMSD bond angle | 1.024 |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.120 | 1.320 |
High resolution limit [Å] | 1.290 | 1.290 |
Number of reflections | 30443 | 1976 |
<I/σ(I)> | 5.7 | |
Completeness [%] | 99.9 | |
Redundancy | 264.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 3.1 M ammonium sulfate |