8KFJ
Crystal structure of sperm whale myoglobin (F46L/H64A mutant) reconstituted with manganese porphycene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.90000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.673, 80.174, 106.595 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.420 - 1.900 |
R-factor | 0.18024 |
Rwork | 0.179 |
R-free | 0.21242 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 3.945 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 39037 | 2472 |
<I/σ(I)> | 13.8 | |
Completeness [%] | 99.9 | |
Redundancy | 6.63 | |
CC(1/2) | 0.999 | 0.607 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.8 M ammonium sulfate, 100 mM Tris-HCl buffer at pH 8.2, 4% acetone and 10% trehalose |