8C4L
Ferric-siderophore reduction in Shewanella biscestrii: Structural and functional characterization of SbiSIP reveals unforeseen specificity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 82.441, 82.441, 250.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.710 - 1.860 |
R-factor | 0.1694 |
Rwork | 0.168 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.710 | 2.030 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.051 | 0.746 |
Rmeas | 0.056 | 0.820 |
Rpim | 0.022 | 0.333 |
Number of reflections | 49068 | 2453 |
<I/σ(I)> | 19.3 | 2.2 |
Completeness [%] | 93.7 | 15 |
Redundancy | 6.5 | 5.7 |
CC(1/2) | 1.000 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 1.8 M Ammonium sulfate with 0.01 M Cobalt(II) chloride hexahydrate and 0.1 M MES pH 6.5 |