8JJA
SP1746 in complex with acetate ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-25 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 0.97780 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 69.097, 69.097, 88.608 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.640 - 1.600 |
| R-factor | 0.18853 |
| Rwork | 0.188 |
| R-free | 0.19959 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.640 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 31077 | 1569 |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.5 | |
| CC(1/2) | 0.997 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 287.15 | 8% PEG8000, 0.1 M Mg acetate,0.1 M Na acetate, pH 4.5 |
