6KOL
Crystal structure of 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 | 2018-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97893 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 30.890, 57.912, 65.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.890 - 2.211 |
| R-factor | 0.1856 |
| Rwork | 0.180 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aan |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.815 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.080 | 0.215 |
| Rpim | 0.033 | 0.091 |
| Number of reflections | 6225 | 292 |
| <I/σ(I)> | 22.69 | |
| Completeness [%] | 99.3 | 98.3 |
| Redundancy | 5.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 1.3M Sodium citrate, 0.05M Tris-Cl |
