1SJ1
The 1.5 A Resolution Crystal Structure of [Fe3S4]-Ferredoxin from the hyperthermophilic Archaeon Pyrococcus furiosus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.230, 47.511, 52.029 |
Unit cell angles | 90.00, 103.86, 90.00 |
Refinement procedure
Resolution | 50.640 - 1.500 |
R-factor | 0.19532 |
Rwork | 0.194 |
R-free | 0.22269 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 5.017 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.100 | 0.310 |
Number of reflections | 21276 | |
<I/σ(I)> | 4.9 | |
Completeness [%] | 88.4 | |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 400, hexammine cobalt(III)chloride, Tris/HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |