3UUC
Crystal structure of hERa-LBD (wt) in complex with bisphenol-C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.530, 58.640, 93.020 |
| Unit cell angles | 75.64, 74.77, 62.82 |
Refinement procedure
| Resolution | 46.897 - 2.100 |
| R-factor | 0.2157 |
| Rwork | 0.214 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qxs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.891 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (/ Refmac) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 51238 | |
| <I/σ(I)> | 10.49 | 1.82 |
| Completeness [%] | 91.4 | 90.4 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 200 mM MgCl2, 100 mM BisTris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
