7SPF
Crystal structure of sperm whale myoglobin variant sMb5(pCaaF)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.408, 55.985, 65.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.655 - 1.170 |
R-factor | 0.1482 |
Rwork | 0.147 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7spe |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.655 | 1.190 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.047 | 1.125 |
Rpim | 0.014 | 0.396 |
Number of reflections | 53004 | 2284 |
<I/σ(I)> | 25.3 | 1.9 |
Completeness [%] | 98.7 | 86.6 |
Redundancy | 12.3 | |
CC(1/2) | 1.000 | 0.673 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 160 nl of protein (3.25 mM) in 20 mM Tris pH 8.4, 1 mM EDTA, was mixed with an equal volume of reservoir solution, 2.2 M ammonium sulfate, 0.2 M sodium nitrate. |