4FAM
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54182 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.717, 106.764, 74.882 |
| Unit cell angles | 90.00, 103.11, 90.00 |
Refinement procedure
| Resolution | 20.030 - 2.000 |
| R-factor | 0.17015 |
| Rwork | 0.168 |
| R-free | 0.21803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fgb |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.030 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.030 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 49665 | |
| Completeness [%] | 98.7 | 92.8 |
| Redundancy | 2.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M potassium thiocyanate, 20 % (w/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
