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 |