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 |