7N7X
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
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 | 2017-09-27 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5180 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.726, 59.752, 79.023 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.390 - 2.097 |
| Rwork | 0.199 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2any |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.623 |
| 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] | 40.390 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmeas | 0.069 | 0.169 |
| Rpim | 0.031 | 0.108 |
| Number of reflections | 15531 | 1318 |
| <I/σ(I)> | 37.7 | 9 |
| Completeness [%] | 97.6 | 85 |
| Redundancy | 3.9 | 2 |
| CC(1/2) | 0.963 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 25% PEG 6000, 0.1MES buffer |
