4MG7
Crystal structure of hERa-LBD (Y537S) in complex with ferutinine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.550, 81.620, 58.480 |
| Unit cell angles | 90.00, 109.78, 90.00 |
Refinement procedure
| Resolution | 43.452 - 2.150 |
| R-factor | 0.1834 |
| Rwork | 0.181 |
| R-free | 0.22980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uud |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.736 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.452 | 2.280 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 25819 | |
| <I/σ(I)> | 13.07 | 3.34 |
| Completeness [%] | 97.9 | 94.4 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 291 | 320 mM sodium chloride, 100 mM HEPES, 24% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
