9K7C
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with maltopentaose
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 | 2024-10-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.820, 61.373, 195.564 |
| Unit cell angles | 83.98, 89.08, 89.18 |
Refinement procedure
| Resolution | 34.312 - 1.850 |
| R-factor | 0.1906 |
| Rwork | 0.189 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.760 |
| 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] | 194.460 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.120 | 0.729 |
| Rmeas | 0.167 | 1.021 |
| Rpim | 0.117 | 0.713 |
| Total number of observations | 292110 | 41962 |
| Number of reflections | 157091 | 22720 |
| <I/σ(I)> | 2.7 | 0.9 |
| Completeness [%] | 97.5 | |
| Redundancy | 1.9 | 1.8 |
| CC(1/2) | 0.982 | 0.430 |
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 |
