9II0
Crystal structure of GH57 family amylopullulanase mutant D352N from Aquifex aeolicus in complex with Maltooctaose
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 | 2023-11-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 61.070, 40.350, 195.390 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 42.157 - 1.890 |
| R-factor | 0.1697 |
| Rwork | 0.168 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.046 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.041 | 1.790 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.160 | 1.893 |
| Rmeas | 0.174 | 2.052 |
| Rpim | 0.068 | 0.786 |
| Total number of observations | 47977 | |
| Number of reflections | 98778 | 7145 |
| <I/σ(I)> | 7.9 | 1.2 |
| Completeness [%] | 98.4 | |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.995 | 0.459 |
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 |
