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 (%) |