9IHW
Crystal structure of GH57 family amylopullulanase mutant D352N from Aquifex aeolicusin complex with Maltohexaose
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 | 61.330, 41.150, 194.150 |
| Unit cell angles | 90.00, 96.15, 90.00 |
Refinement procedure
| Resolution | 60.977 - 1.640 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.883 |
| 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] | 64.340 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.199 | 1.417 |
| Rmeas | 0.220 | 1.584 |
| Rpim | 0.091 | 0.695 |
| Total number of observations | 712495 | 45146 |
| Number of reflections | 118846 | 8687 |
| <I/σ(I)> | 9.9 | 1.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 6 | 5.2 |
| CC(1/2) | 0.990 | 0.513 |
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 |
