1I49
CRYSTAL STRUCTURE ANALYSIS OF ARFAPTIN
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-04-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.87 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 146.334, 146.334, 82.732 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
Rwork | 0.234 |
R-free | 0.27500 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.930 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.075 | 0.309 |
Number of reflections | 25169 | |
<I/σ(I)> | 28.9 | |
Completeness [%] | 98.9 | |
Redundancy | 3.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | tri-sodium citrate dihydrate | 0.1 (M) | |
3 | 1 | reservoir | isopropanol | 10 (%(v/v)) | |
4 | 1 | reservoir | sodium HEPES | 50 (mM) |