8BKH
Carboxymyoglobin dark state for comparison with power titration and 23 / 101 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 | 64.100, 28.800, 35.800 |
Unit cell angles | 90.00, 106.90, 90.00 |
Refinement procedure
Resolution | 20.440 - 1.350 |
R-factor | 0.1864 |
Rwork | 0.183 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d5r |
RMSD bond length | 0.010 |
RMSD bond angle | 1.003 |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.670 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 27862 | 2319 |
<I/σ(I)> | 4 | |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 121.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 3.1 M ammonium sulfate |