8WF5
Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2))
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.260, 28.740, 63.650 |
Unit cell angles | 90.00, 105.47, 90.00 |
Refinement procedure
Resolution | 33.792 - 1.720 |
Rwork | 0.157 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.973 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.792 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.155 | 0.738 |
Number of reflections | 12813 | 698 |
<I/σ(I)> | 10.4 | 3.2 |
Completeness [%] | 96.4 | |
Redundancy | 6.5 | |
CC(1/2) | 0.991 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.8 M ammonium sulfate, 100 mM Tis-HCl buffer (pH 7.0) |