3VHU
Mineralocorticoid receptor ligand-binding domain with spironolactone
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 | 2005-11-19 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.526, 171.509, 42.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.110 |
R-factor | 0.19315 |
Rwork | 0.190 |
R-free | 0.24571 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ab2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.207 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 |
High resolution limit [Å] | 2.110 | 2.110 |
Number of reflections | 19366 | |
<I/σ(I)> | 26.2 | 2.4 |
Completeness [%] | 98.6 | 90.3 |
Redundancy | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M HEPES pH 7.0, 1.26M Lithium sulfate, 6% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |