1JQQ
Crystal structure of Pex13p(301-386) SH3 domain
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.980, 0.980, 0.918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.199, 50.441, 74.773 |
| Unit cell angles | 90.00, 109.04, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.650 |
| Rwork | 0.235 |
| R-free | 0.27700 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.350 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.710 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.083 | 0.292 |
| Number of reflections | 10735 * | |
| <I/σ(I)> | 11.6 | 3.6 |
| Completeness [%] | 99.1 | 99.9 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 22. * | Ammonium Sulfate, Bis-Tris-Propane, detergent C12E9 at pH 9.0, VAPOR DIFFUSION, SITTING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
| 2 | 1 | reservoir | sodium phosphate | 0.1 (M) | |
| 3 | 1 | reservoir | Bis-Tris-propane | 100 (mM) | pH8.0 |
| 4 | 1 | reservoir | ethanol | 2 (%(v/v)) |
