7O8D
diFe-sulerythrin oxidised by H2O2
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 | 2019-12-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 63 |
Unit cell lengths | 71.971, 71.971, 99.814 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.960 - 1.120 |
R-factor | 0.13747 |
Rwork | 0.137 |
R-free | 0.16949 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j30 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.909 |
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] | 38.960 | 1.160 |
High resolution limit [Å] | 1.120 | 1.120 |
Number of reflections | 108298 | 8223 |
<I/σ(I)> | 12.7 | |
Completeness [%] | 95.8 | |
Redundancy | 9.75 | |
CC(1/2) | 0.999 | 0.486 |
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 |