8X8J
The structure of AbBioc in complex with inhibitor sinefungin
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 | 2023-11-17 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.699, 56.547, 70.680 |
| Unit cell angles | 90.00, 101.13, 90.00 |
Refinement procedure
| Resolution | 40.480 - 1.720 |
| R-factor | 0.2217 |
| Rwork | 0.220 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.733 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.250 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.105 | 1.402 |
| Rmeas | 0.116 | 1.551 |
| Rpim | 0.048 | 0.652 |
| Total number of observations | 273096 | 40626 |
| Number of reflections | 47476 | 6974 |
| <I/σ(I)> | 8.4 | 1.9 |
| Completeness [%] | 98.9 | |
| Redundancy | 5.8 | 5.8 |
| CC(1/2) | 0.995 | 0.368 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 1.6M Ammonium sulfate, 10% (v/v) 1,4-Dioxane, and 0.1M MES monohydrate pH 6.5 |
