9IHT
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus in complex with acarbose
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 | 2024-01-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 60.931, 40.109, 195.144 |
| Unit cell angles | 90.00, 95.80, 90.00 |
Refinement procedure
| Resolution | 60.619 - 1.692 |
| R-factor | 0.1723 |
| Rwork | 0.171 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.950 |
| 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] | 97.070 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.112 | 1.580 |
| Rmeas | 0.124 | 1.768 |
| Rpim | 0.052 | 0.780 |
| Total number of observations | 550396 | 71034 |
| Number of reflections | 105855 | 15318 |
| <I/σ(I)> | 9.2 | 1.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 5.2 | 4.6 |
| CC(1/2) | 0.996 | 0.470 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 338 | 0.1 M Sodium citrate, pH 4.2, 20% PEG 3350 |
