8BO3
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-07 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.194, 59.916, 66.816 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.608 - 1.841 |
| Rwork | 0.170 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.857 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.610 | 1.920 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmeas | 0.082 | 0.574 |
| Rpim | 0.046 | 0.363 |
| Number of reflections | 20404 | 4266 |
| <I/σ(I)> | 13.2 | 1.8 |
| Completeness [%] | 98.3 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.997 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Citrate pH 4.5, 20-30% PEG4000 |
