9II1
GH57 family Amylopullulanase mutant E256L from Aquifex aeolicus in complex with maltohexaose
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 | 2023-06-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 60.831, 39.638, 193.778 |
| Unit cell angles | 90.00, 95.76, 90.00 |
Refinement procedure
| Resolution | 56.158 - 1.501 |
| R-factor | 0.1724 |
| Rwork | 0.171 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.081 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.400 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.131 | 1.645 |
| Rmeas | 0.142 | 1.804 |
| Rpim | 0.056 | 0.730 |
| Total number of observations | 922301 | 124942 |
| Number of reflections | 147906 | 21482 |
| <I/σ(I)> | 5.6 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.996 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 338 | 0.1M Sodium citrate, pH 4.2, 20% PEG 3350 |
