3WFF
Mineralocorticoid receptor ligand-binding domain with compound 2b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 51.866, 51.866, 206.153 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.860 - 2.050 |
| R-factor | 0.18771 |
| Rwork | 0.186 |
| R-free | 0.21560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vhv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.404 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 21157 | |
| <I/σ(I)> | 23.1 | 3.4 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 7.4 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 0.04M potassium dihydrogen phosphate, 16% PEG 8000, 20% glycerol, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
