9KYR
GH57 family amylopullulanase from Aquifex aeolicus D352N mutant complex with gama-cyclodextrin
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 | 2024-11-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.830, 61.530, 195.400 |
| Unit cell angles | 83.94, 88.85, 89.09 |
Refinement procedure
| Resolution | 24.329 - 1.890 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.955 |
| 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] | 64.760 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.182 | 2.210 |
| Rmeas | 0.217 | 2.622 |
| Rpim | 0.116 | 1.396 |
| Total number of observations | 492924 | 35725 |
| Number of reflections | 143351 | 10495 |
| <I/σ(I)> | 5.4 | 0.8 |
| Completeness [%] | 94.7 | |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.989 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 338 | 0.1M Sodium citrate, pH 4.2, 20% PEG 3350 |
