9KVU
Structure of B1 domain in the bifunctional enzyme CelAly
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-10 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.853, 41.686, 53.949 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.780 - 1.900 |
| Rwork | 0.206 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.990 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.170 | 0.659 |
| Number of reflections | 5762 | 559 |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 98.1 | |
| Redundancy | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M Bis-Tris propane (pH 8.5), 28% (w/v) polyethylene glycol (PEG) 6000 |
