3HQ5
Progesterone Receptor bound to an Alkylpyrrolidine ligand.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | .97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.701, 64.441, 70.380 |
| Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.100 |
| R-factor | 0.20036 |
| Rwork | 0.198 |
| R-free | 0.23678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.116 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.091 | 0.452 |
| Number of reflections | 32216 | |
| <I/σ(I)> | 14.594 | |
| Completeness [%] | 99.4 | 96.4 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 20 % Peg 3350, 0.2M LiSO4, 0.1M Hepes 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.15K |
