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 (%) |
