8YC1
Acid phosphate hydrolase from Shigella flexneri (apo)
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 | 2023-05-28 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.840, 98.840, 144.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.030 - 2.700 |
| R-factor | 0.1993 |
| Rwork | 0.195 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.425 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.1_3865: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.030 | 2.797 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.037 | |
| Number of reflections | 22925 | 2255 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.998 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 300 | 0.1M sodium acetate trihydrate, 0.2M magnesium formate dihydrate, 18% PEG 4000 |
