9GYH
HEW Lysozyme with His 15 functionalized with iodoacetamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 VENTURE |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-24 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.530, 78.170, 79.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.780 - 1.600 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.079 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((dev_5430: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.100 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.550 | |
| Number of reflections | 58882 | 4091 |
| <I/σ(I)> | 10.4 | 1.9 |
| Completeness [%] | 99.0 | 93 |
| Redundancy | 3.7 | |
| CC(1/2) | 0.990 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.05 M sodium acetate, 30% w/v PEG MME 5.000, 1.0 M sodium chloride |
