9IHV
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant D352N in complex with maltopentaose
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 | 2023-10-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 61.007, 39.825, 194.286 |
| Unit cell angles | 90.00, 95.82, 90.00 |
Refinement procedure
| Resolution | 96.643 - 1.783 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.922 |
| 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] | 193.290 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.228 | 2.272 |
| Rmeas | 0.248 | 2.462 |
| Rpim | 0.096 | 0.939 |
| Total number of observations | 596482 | 87356 |
| Number of reflections | 89674 | 12939 |
| <I/σ(I)> | 5.7 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.989 | 0.419 |
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 |
