7PPU
Structure of diFe-Sulerythrin at 0.57 MGy total absorbed dose
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 | 2020-11-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 |
| Unit cell lengths | 72.020, 72.020, 97.997 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.531 - 1.340 |
| R-factor | 0.1857 |
| Rwork | 0.185 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j30 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.531 | 1.420 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmeas | 0.124 | 1.083 |
| Rpim | 0.037 | 0.337 |
| Number of reflections | 126860 | 20266 |
| <I/σ(I)> | 8 | 1.1 |
| Completeness [%] | 99.2 | 98.2 |
| Redundancy | 5.7 | |
| CC(1/2) | 0.990 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1M BIS-Tris 24% (w/v) PEG 3350 pH 5.5 Sulerythrin at 14.00 mg/ml |
