8HPC
Crystal structure of C171A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-Hydroxyphenylglycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-30 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54184 |
Spacegroup name | P 1 |
Unit cell lengths | 79.165, 79.865, 91.070 |
Unit cell angles | 91.40, 98.48, 92.78 |
Refinement procedure
Resolution | 46.590 - 2.520 |
R-factor | 0.21987 |
Rwork | 0.218 |
R-free | 0.25324 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.436 |
Data scaling software | Aimless |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.590 | 2.570 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.140 | 0.433 |
Number of reflections | 72971 | 3915 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 98.0 | |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, BIS-TRIS, Ammonium acetate, calcium chloride |