1E3K
Human Progesteron Receptor Ligand Binding Domain in complex with the ligand metribolone (R1881)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.402, 65.011, 71.181 |
| Unit cell angles | 90.00, 95.65, 90.00 |
Refinement procedure
| Resolution | 12.500 - 2.800 |
| R-factor | 0.217 * |
| Rwork | 0.217 |
| R-free | 0.34300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a28 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.044 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.500 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.048 | 0.151 |
| Total number of observations | 67655 * | |
| Number of reflections | 8875 | |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 67.0 | 68.8 |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | RESERVOIR SOLUTION: 10% ISO-PROPANOL, 100MM SODIUM CITRATE 50MM HEPES PH 7.5. THE DROPS WERE SET UP USING THE HANGING DROP METHOD AND WERE COMPOSED OF A 2:1 RATIO OF PROTEIN AND RESERVOIR SOLUTIONS. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | reservoir | isopropyl alcohol | 10 (%) | |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 4 | 1 | reservoir | HEPES | 50 (mM) |
