8QCU
Lysozyme covalently bound to fac-[Re(CO)3-imidazole] complex, incubated for 38 weeks.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-19 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 81.120, 81.120, 37.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.280 - 1.150 |
R-factor | 0.1597 |
Rwork | 0.159 |
R-free | 0.17770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.150 |
Data reduction software | xia2 (3dii) |
Data scaling software | xia2 (3dii) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.280 | 1.191 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.090 | |
Rpim | 0.018 | 0.854 |
Number of reflections | 87971 | 7685 |
<I/σ(I)> | 21.34 | 0.78 |
Completeness [%] | 98.9 | 89.54 |
Redundancy | 21 | 6.4 |
CC(1/2) | 0.994 | 0.448 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 290.15 | HEWL, ReAA, Imidazole, 1.0 M NaCl, and 0.05 M sodium acetate at 4.5 pH. |