9K7D
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with Maltohexaose
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 2 1 |
| Unit cell lengths | 61.420, 40.790, 196.760 |
| Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
| Resolution | 39.137 - 1.720 |
| R-factor | 0.1746 |
| Rwork | 0.173 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.018 |
| 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] | 39.140 | 1.760 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.200 | 1.348 |
| Rmeas | 0.217 | 1.457 |
| Rpim | 0.085 | 0.549 |
| Total number of observations | 696967 | 52608 |
| Number of reflections | 104038 | 7655 |
| <I/σ(I)> | 10.1 | 1.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 | 6.9 |
| CC(1/2) | 0.993 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 338 | 0.1M Sodium citrate, pH 4.2, 20% PEG 3350 |
