5XGC
Crystal structure of SmgGDS-558
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-10 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 194.330, 51.115, 52.444 |
| Unit cell angles | 90.00, 92.77, 90.00 |
Refinement procedure
| Resolution | 49.430 - 2.100 |
| R-factor | 0.2166 |
| Rwork | 0.215 |
| R-free | 0.25156 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.239 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rpim | 0.029 | 0.459 |
| Number of reflections | 32018 | |
| <I/σ(I)> | 47.7 | 2.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.9 | 10.3 |
| CC(1/2) | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 283 | PEG 3,350, MgCl2, HEPES |
