9JDT
Crystal structure of reductase NaAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2020-02-01 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.317, 121.768, 276.149 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.260 |
| Rwork | 0.260 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5h5x |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 110.000 | 3.537 |
| High resolution limit [Å] | 3.260 | 3.264 |
| Number of reflections | 54761 | 11191 |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 97.7 | |
| Redundancy | 2 | |
| CC(1/2) | 0.750 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | peg 3350 |
