7QZL
Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine
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 | 2021-04-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976284 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.691, 84.310, 284.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.400 - 1.500 |
| R-factor | 0.1656 |
| Rwork | 0.164 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6iau |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.742 |
| 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] | 47.400 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.960 |
| Rpim | 0.040 | 0.400 |
| Number of reflections | 109306 | 5350 |
| <I/σ(I)> | 17.1 | 3.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.2 | |
| CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M bis-Tris pH 5.5; 25% PEG 3350 10 mM NADP, 10 mM n-pentylamine |
