8AYK
Crystal structure of D-amino acid aminotrensferase from Aminobacterium colombiense complexed with D-glutamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-25 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.552, 90.013, 100.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.480 - 1.900 |
R-factor | 0.1961 |
Rwork | 0.195 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8ahr |
RMSD bond length | 0.012 |
RMSD bond angle | 1.666 |
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] | 21.480 | 21.480 | 1.940 |
High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
Rmerge | 0.105 | 0.024 | 1.109 |
Rmeas | 0.111 | 0.026 | 1.161 |
Rpim | 0.033 | 0.011 | 0.341 |
Total number of observations | 477331 | 2221 | 32887 |
Number of reflections | 44299 | 443 | 2898 |
<I/σ(I)> | 19.3 | 48 | 2.6 |
Completeness [%] | 98.8 | 89.4 | 97.5 |
Redundancy | 10.8 | 5 | 11.3 |
CC(1/2) | 0.999 | 0.999 | 0.831 |
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 |