4FEM
Structure of SusE with alpha-cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2010-12-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97941 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.397, 93.397, 195.273 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.20876 |
| Rwork | 0.207 |
| R-free | 0.24067 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Semet SusE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.832 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 17403 | |
| <I/σ(I)> | 35.4 | 2 |
| Completeness [%] | 95.7 | 80.9 |
| Redundancy | 9.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 16-20% PEG 6000, 2M NaCl, 100mM malonate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
