5CZU
Crystal structure of FeCat-Fn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 181.070, 181.070, 181.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.960 - 1.600 |
| R-factor | 0.17477 |
| Rwork | 0.173 |
| R-free | 0.20806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dat |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.922 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 34034 | |
| <I/σ(I)> | 58 | 6.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium sulfate |
