8PNY
Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens complexed with phenylhydrazine and in its apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-31 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 104.644, 104.644, 51.541 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.590 - 1.800 |
R-factor | 0.20568 |
Rwork | 0.203 |
R-free | 0.25406 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.790 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.590 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.215 | 1.520 |
Rmeas | 0.224 | 1.583 |
Rpim | 0.062 | 0.437 |
Total number of observations | 389046 | 22104 |
Number of reflections | 30251 | 1727 |
<I/σ(I)> | 10.7 | 1.9 |
Completeness [%] | 99.6 | |
Redundancy | 12.9 | 12.8 |
CC(1/2) | 0.996 | 0.506 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.1 M Hepes pH 7.5, 4 M NaCl |