7MKV
Engineered PLP-dependent decarboxylative aldolase from Aspergillus flavus, UstD2.0, bound as the internal aldimine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.004 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 162.090, 162.090, 221.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.810 - 2.250 |
| R-factor | 0.2152 |
| Rwork | 0.214 |
| R-free | 0.24600 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.212 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 133166 | 9727 |
| <I/σ(I)> | 11.8 | 1.06 |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 14.2 | 11.4 |
| CC(1/2) | 0.999 | 0.443 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M HEPES, 6% Tacsimate, 16% PEG-MME 5K, 4.5% Ethylene Glycol |
