1JS2
Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.653 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.059, 30.182, 68.738 |
Unit cell angles | 90.00, 111.27, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.193 * |
Rwork | 0.193 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 * |
RMSD bond angle | 1.328 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.302 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.094 | 0.307 |
Number of reflections | 35617 | |
<I/σ(I)> | 2 | |
Completeness [%] | 90.4 | 78.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | VAPOR DIFFUSION, HANGING DROP at pH 8.0, 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
2 | 1 | drop | C77S HiPIP | 1.1 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 45.5 (%(v/v)saturated) | |
4 | 1 | reservoir | 49.8 (mM) | ||
5 | 1 | reservoir | MPD | 50 (%) |