8J1C
Structure of amino acid dehydrogenase in complex with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.965, 92.617, 162.475 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.800 - 2.200 |
R-factor | 0.21534 |
Rwork | 0.213 |
R-free | 0.25957 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.379 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.800 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.072 | 1.192 |
Rmeas | 0.078 | 1.288 |
Rpim | 0.030 | 0.487 |
Total number of observations | 30922 | |
Number of reflections | 70419 | 4445 |
<I/σ(I)> | 16.8 | 1.7 |
Completeness [%] | 100.0 | |
Redundancy | 6.7 | 7 |
CC(1/2) | 0.992 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 8000, imidazole buffer, NaCl, NADP, lysine |