8W18
The crystal structure of the Michaelis-Menten complex of a C1s/C1-INH at 3.94 Angstroms
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2023-06-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 168.628, 168.628, 88.342 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.420 - 3.940 |
| R-factor | 0.2639 |
| Rwork | 0.262 |
| R-free | 0.28070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.733 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.420 | 4.150 |
| High resolution limit [Å] | 3.940 | 3.940 |
| Rpim | 0.127 | 0.776 |
| Number of reflections | 11775 | 3267 |
| <I/σ(I)> | 6.9 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.8 | 12.9 |
| CC(1/2) | 0.996 | 0.446 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M L-Proline, 0.1M HEPES (pH 6.5), and 12% PEG 3,350 |
