8AIE
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense complexed with D-cycloserine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-20 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.968, 90.028, 100.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.150 - 1.900 |
| R-factor | 0.2212 |
| Rwork | 0.219 |
| R-free | 0.26420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8ahr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.762 |
| Data reduction software | CrysalisPro |
| 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] | 21.150 | 21.150 | 1.940 |
| High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
| Rmerge | 0.169 | 0.028 | 3.483 |
| Rmeas | 0.178 | 0.032 | 3.715 |
| Rpim | 0.057 | 0.014 | 1.258 |
| Total number of observations | 422464 | 2090 | 22073 |
| Number of reflections | 44377 | 453 | 2782 |
| <I/σ(I)> | 13.9 | 56.4 | 0.5 |
| Completeness [%] | 98.9 | 90.7 | 94.7 |
| Redundancy | 9.5 | 4.6 | 7.9 |
| CC(1/2) | 0.995 | 0.998 | 0.417 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.2M NaNitrate, 0.1M Bis-tris propane pH 6,5, 20% PEG3350 |
