8Z13
Crystal structure of DiatB-NADPH complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.786, 66.786, 375.262 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.234 - 2.505 |
| R-factor | 0.2561 |
| Rwork | 0.249 |
| R-free | 0.31530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.229 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.540 | 2.640 |
| High resolution limit [Å] | 2.505 | 2.510 |
| Rmerge | 0.224 | 1.800 |
| Rmeas | 0.228 | 1.834 |
| Rpim | 0.039 | 0.416 |
| Number of reflections | 17737 | 1766 |
| <I/σ(I)> | 16.9 | 2.4 |
| Completeness [%] | 97.1 | 100 |
| Redundancy | 33.4 | |
| CC(1/2) | 0.998 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30% (w/v) PEG 4000, 0.1M Tris base/Hydrochloric acid pH 8.5 and 0.2 M Lithium sulfate. |
