4MGC
Crystal structure of hERa-LBD (Y537S) in complex with benzophenone-2
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 | 2012-05-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.020, 83.870, 58.400 |
| Unit cell angles | 90.00, 109.00, 90.00 |
Refinement procedure
| Resolution | 46.119 - 2.150 |
| R-factor | 0.1855 |
| Rwork | 0.183 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uud |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.718 |
| 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] | 46.120 | 2.280 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 27695 | |
| <I/σ(I)> | 15.41 | 3.66 |
| Completeness [%] | 99.3 | 98.9 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 291 | 300 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
