8WZR
SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 100 ns after photoexcitation at RT.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL2 |
Synchrotron site | SACLA |
Beamline | BL2 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2021-11-02 |
Detector | MPCCD |
Wavelength(s) | 1 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 81.700, 81.700, 37.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.690 - 1.600 |
R-factor | 0.1937 |
Rwork | 0.194 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.115 |
Data reduction software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.690 | 1.620 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 17528 | 859 |
<I/σ(I)> | 9.55 | |
Completeness [%] | 100.0 | |
Redundancy | 820.09 | |
CC(1/2) | 0.990 | 0.486 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 3 | 293 | 0.1M Acetate buffer (pH3.0), 28% NaCl, 8% PEG 6000 |