8ZYI
crystal structure of GH57 family amylopullulanase mutant D352N from Aquifex aeolicus in complex wih 6-alpha-D-maltotriosyl-maltotriose
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 | 2024-05-13 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 61.786, 41.518, 194.510 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 40.118 - 1.657 |
| R-factor | 0.1712 |
| Rwork | 0.170 |
| R-free | 0.20140 |
| 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] | 96.710 | 1.750 |
| High resolution limit [Å] | 1.657 | 1.660 |
| Rmerge | 0.142 | 1.829 |
| Rmeas | 0.156 | 2.012 |
| Rpim | 0.064 | 0.827 |
| Total number of observations | 98447 | |
| Number of reflections | 117555 | 16973 |
| <I/σ(I)> | 7.7 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 5.8 | 5.8 |
| CC(1/2) | 0.994 | 0.487 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 338 | 0.1M sodium citrate, 25% PEG 3350, pH4.2 |
