1P49
Structure of Human Placental Estrone/DHEA Sulfatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-14 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 116.980, 116.980, 102.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.000 - 2.600 |
| R-factor | 0.254 |
| Rwork | 0.254 |
| R-free | 0.30100 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.354 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.068 | 0.239 |
| Number of reflections | 24534 | |
| <I/σ(I)> | 7.8 | 3.1 |
| Completeness [%] | 97.4 | 96.2 |
| Redundancy | 6.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 45-50% MPD, 0.10M ammonium phosphate, pH 8.5, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MPD | 45-50 (%) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
| 3 | 1 | reservoir | ammonium phosphate | 0.10-0.20 (M) | |
| 4 | 1 | reservoir | n-octyl-beta-D-glukopyranoside | 0.3 (%) |
