9JLX
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant D352N in complex with maltoheptaose
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 | 2024-05-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.830, 61.460, 195.700 |
| Unit cell angles | 84.00, 89.08, 89.20 |
Refinement procedure
| Resolution | 24.610 - 1.830 |
| R-factor | 0.1618 |
| Rwork | 0.160 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.120 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.076 | 0.852 |
| Rmeas | 0.090 | 1.014 |
| Rpim | 0.048 | 0.543 |
| Number of reflections | 159268 | 11665 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 95.4 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.998 | 0.532 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 349 | 0.1M Sodium citrate, pH 4.2, 20% PEG 3350 at 368K |
