1S18
Structure and protein design of human apyrase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98, 0.9794, 0.9790, 0.9687 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.163, 52.501, 77.925 |
| Unit cell angles | 99.44, 106.58, 99.89 |
Refinement procedure
| Resolution | 72.600 * - 1.700 |
| R-factor | 0.1591 |
| Rwork | 0.157 |
| R-free | 0.19100 * |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.600 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.238 |
| Number of reflections | 65632 | |
| <I/σ(I)> | 14.3 | 3.5 |
| Completeness [%] | 95.3 * | 79.2 |
| Redundancy | 3.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | PEG MME 2000, sodium acetate, ammonium sulfate, strontium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 MME | 10-15 (%) | |
| 2 | 1 | reservoir | 100 (mM) | pH5.0 | |
| 3 | 1 | reservoir | ammonium sulfate | 0.3-0.4 (M) | |
| 4 | 1 | drop | protein | 15 (mg/ml) |
