6L9S
Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-05-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 30.989, 57.420, 65.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.080 - 2.000 |
| R-factor | 0.1793 |
| Rwork | 0.177 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6kol |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.923 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.080 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.099 | 0.382 |
| Rpim | 0.040 | 0.158 |
| Number of reflections | 8318 | 396 |
| <I/σ(I)> | 15.23 | 4.2 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 6.1 | 5.6 |
| CC(1/2) | 0.991 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 1.3M Sodium citrate, 0.05M Tris-Cl, adding 0.3M Na-dithionite in the crystal drop of air-oxidized auracyanin to obtain the reduced crystals |
