1EI9
CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 1998-12-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9791,0.9789,0.9364 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 69.350, 69.350, 128.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.250 |
R-factor | 0.249 |
Rwork | 0.241 |
R-free | 0.29700 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 24.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.900 * | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.055 * | 0.164 * |
Total number of observations | 109210 * | |
Number of reflections | 14788 * | |
<I/σ(I)> | 18.6 | |
Completeness [%] | 94.8 * | 91.4 * |
Redundancy | 5.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 298 | 55% Polypropylene Glycol 400, 0.1 M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 298 | 55% Polypropylene Glycol 400, 0.1 M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PPT1 | 12 (mg/ml) | |
2 | 1 | drop | HEPES | 20 (mM) | |
3 | 1 | drop | 150 (mM) | ||
4 | 1 | reservoir | PEG400 | 55 (%) | |
5 | 1 | reservoir | Bis-Tris | 100 (mM) |