7PPV
Structure of diFe-Sulerythrin at 2.70 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 | 2021-01-20 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 63 |
Unit cell lengths | 72.150, 72.150, 97.980 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.553 - 1.360 |
R-factor | 0.1817 |
Rwork | 0.181 |
R-free | 0.19920 |
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] | 38.553 | 1.400 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmeas | 0.065 | 1.677 |
Rpim | 0.018 | 0.479 |
Number of reflections | 122036 | 8996 |
<I/σ(I)> | 13.8 | |
Completeness [%] | 99.5 | |
Redundancy | 6.3 | |
CC(1/2) | 0.990 | 0.990 |
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 |