3A39
Crystal Structure of High-Potential Iron-Sulfur Protein from Thermochromatium tepidum at 0.72 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.71 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.463, 58.960, 23.432 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.720 |
| R-factor | 0.0688 |
| Rwork | 0.068 |
| R-free | 0.07580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iua |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.740 |
| High resolution limit [Å] | 0.720 | 0.720 |
| Rmerge | 0.054 | 0.194 |
| Number of reflections | 157203 | |
| <I/σ(I)> | 41.9 | 5.1 |
| Completeness [%] | 91.8 | 54 |
| Redundancy | 6.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 1.9M ammonium sulfate, 10mM dithiothreitol, 100mM sodium citrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
