7R09
Amine Dehydrogenase MATOUAmDH2 in complex with NADP+ and Cyclohexylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2021-12-10 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 93.508, 93.508, 75.786 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.400 - 2.080 |
| R-factor | 0.2354 |
| Rwork | 0.233 |
| R-free | 0.29770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iau |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.422 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.400 | 2.130 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.070 | 1.280 |
| Rpim | 0.020 | 0.410 |
| Number of reflections | 23365 | 1768 |
| <I/σ(I)> | 24.4 | 2.7 |
| Completeness [%] | 99.9 | |
| Redundancy | 20.2 | 20.7 |
| CC(1/2) | 1.000 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M bis-Tris pH 6.5, 25% (w/v) PEG 3350 0.2 M MgCl2, 10 mM NADP, 10 mM n-pentylamine |
