8J4H
X-ray structure of a ferric ion-binding protein A (FbpA) from Vibrio metschnikovii in complex with Danshensu (DSS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 90.233, 90.233, 149.475 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.120 - 2.010 |
R-factor | 0.16142 |
Rwork | 0.159 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.825 | 2.018 |
High resolution limit [Å] | 2.008 | 2.008 |
Number of reflections | 45218 | 7187 |
<I/σ(I)> | 15.81 | |
Completeness [%] | 99.3 | |
Redundancy | 10.59 | |
CC(1/2) | 0.999 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293.15 | 1 M (NH4)2HPO4, 0.1 M imidazole-HCl (pH 8.0) |