9K0A
Structure of Pictet-Spenglerases KslB in complex with product
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.077, 82.992, 64.501 |
| Unit cell angles | 90.00, 109.32, 90.00 |
Refinement procedure
| Resolution | 49.220 - 2.170 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.556 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.220 | 2.240 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.092 | 0.482 |
| Number of reflections | 30086 | 2603 |
| <I/σ(I)> | 9.7 | 2.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.996 | 0.765 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM calcium acetate, 100 mM cacodylate pH 6.0, and 12% PEG8000 |
