8Z12
Crystal structure of WT DiatB
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) | 0.9785 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 66.846, 66.846, 376.751 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.573 - 2.238 |
| R-factor | 0.2085 |
| Rwork | 0.205 |
| R-free | 0.24890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.029 |
| 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] | 62.800 | 2.360 |
| High resolution limit [Å] | 2.200 | 2.240 |
| Rmerge | 0.181 | 1.634 |
| Rmeas | 0.184 | 1.660 |
| Rpim | 0.031 | 0.286 |
| Number of reflections | 24232 | 2144 |
| <I/σ(I)> | 19 | 2.8 |
| Completeness [%] | 94.7 | 91.4 |
| Redundancy | 33.5 | |
| CC(1/2) | 1.000 | 0.901 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium citrate tribasic tetrahydrate (pH 8.4), 20% (w/v) polyethylene glycol (PEG) 3350. |
