8AYJ
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiens complexed with 3-aminooxypropionic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-06-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.74503 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.573, 58.434, 96.722 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 48.240 - 1.750 |
| R-factor | 0.2029 |
| Rwork | 0.201 |
| R-free | 0.23930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8ahr |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.878 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.240 | 48.240 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.100 | 1.750 |
| Rmerge | 0.162 | 0.029 | 1.124 |
| Rmeas | 0.196 | 0.035 | 1.363 |
| Rpim | 0.109 | 0.020 | 0.761 |
| Total number of observations | 167509 | 1197 | 8620 |
| Number of reflections | 56226 | 423 | 2947 |
| <I/σ(I)> | 4.3 | 18.3 | 0.7 |
| Completeness [%] | 98.9 | 95.4 | 95.4 |
| Redundancy | 3 | 2.8 | 2.9 |
| CC(1/2) | 0.990 | 0.999 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.02 M Sodium/potassium phosphate,0.1 M Bis-Tris propane pH 6.5, 20 % w/v PEG 3350 |
