1FE2
CRYSTAL STRUCTURE OF DIHOMO-GAMMA-LINOLEIC ACID BOUND IN THE CYCLOOXYGENASE CHANNEL OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-07 |
Detector | CUSTOM-MADE |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 182.190, 182.190, 103.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
Rwork | 0.237 |
R-free | 0.27700 |
RMSD bond length | 0.010 |
RMSD bond angle | 22.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.122 | 0.589 |
Number of reflections | 20099 | |
<I/σ(I)> | 27.2 | |
Completeness [%] | 94.0 * | 83 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 20 * | Lithium Chloride, Sodium Azide, Citric Acid, n-octyl-glucoside, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium citrate | 0.64 (M) | |
2 | 1 | drop | 0.6 (M) | ||
3 | 1 | drop | 1 (mM) | ||
4 | 1 | reservoir | sodium citrate | 0.64-0.84 (M) | |
5 | 1 | reservoir | 0.3-0.6 (M) | ||
6 | 1 | reservoir | 1 (mM) |