8JYT
Ancestral imine reducatase N560
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 77.36 |
| Detector technology | PIXEL |
| Collection date | 2023-06-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.900, 68.570, 84.240 |
| Unit cell angles | 76.25, 67.75, 60.92 |
Refinement procedure
| Resolution | 27.790 - 1.790 |
| R-factor | 0.2066 |
| Rwork | 0.206 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 10.213 |
| Data scaling software | XDS (0.7.7 : 23/04/21) |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.990 | 1.840 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.032 | 0.625 |
| Rmeas | 0.038 | 0.758 |
| Rpim | 0.020 | 0.420 |
| Total number of observations | 387555 | 25409 |
| Number of reflections | 110068 | 7994 |
| <I/σ(I)> | 15.8 | 1.7 |
| Completeness [%] | 96.6 | |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.999 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | Calcium chloride dihydrate, sodium acetate, MPD |
