8J6W
Full length crystal structure of Escherichia coli Fur
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9870 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.222, 69.222, 73.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.380 - 2.660 |
R-factor | 0.2444 |
Rwork | 0.241 |
R-free | 0.28900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.166 |
Data reduction software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.380 | 2.790 |
High resolution limit [Å] | 2.660 | 2.660 |
Number of reflections | 5436 | 690 |
<I/σ(I)> | 32.6 | 6.7 |
Completeness [%] | 99.6 | |
Redundancy | 1 | |
CC(1/2) | 0.995 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.2M Potassium chloride,0.01M Magnesium chloride hexahydrate,0.05M MSA monohydrate,5%w/vPolyethylene glycol,pH=5.6 |