5AXS
Crystal structure of CdCat-Fn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 180.878, 180.878, 180.878 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.810 - 1.670 |
| R-factor | 0.16286 |
| Rwork | 0.162 |
| R-free | 0.18816 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dat |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.622 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 29974 | |
| <I/σ(I)> | 53.4 | 11.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.1 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium sulfate |
