7O89
sulerythrin without metals (apo-state)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 96.147, 96.147, 80.688 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.070 - 1.160 |
| R-factor | 0.12459 |
| Rwork | 0.124 |
| R-free | 0.14603 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j30 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.827 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.070 | 1.200 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.075 | |
| Number of reflections | 974906 | 7457 |
| <I/σ(I)> | 20.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.81 | |
| CC(1/2) | 1.000 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Bis-Tris (pH 5.5) and 20-25% (w/v) PEG3350 |
