9KYQ
GH57 family amylopullulanase from Aquifex aeolicus wild type co-crystallize with gama-cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-10 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 61.450, 41.350, 194.020 |
| Unit cell angles | 90.00, 96.24, 90.00 |
Refinement procedure
| Resolution | 64.290 - 1.600 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.937 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.290 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.132 | 1.444 |
| Rmeas | 0.144 | 1.607 |
| Rpim | 0.057 | 0.691 |
| Total number of observations | 813928 | 49612 |
| Number of reflections | 128326 | 9430 |
| <I/σ(I)> | 9.5 | 1.5 |
| Completeness [%] | 99.6 | |
| Redundancy | 6.3 | 5.3 |
| CC(1/2) | 0.996 | 0.445 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 338 | 0.1M Sodium citrate, pH 4.2, 20% PEG 3350 |
