3MD4
Prion peptide
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 | 2007-03-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 9.439, 17.792, 44.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.280 - 1.150 |
| R-factor | 0.15 |
| Rwork | 0.149 |
| R-free | 0.16900 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.454 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 2.480 | 1.150 |
| Rmerge | 0.102 | 0.081 | 0.186 |
| Number of reflections | 2627 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 87.6 | 90.5 | 65.2 |
| Redundancy | 5.6 | 7.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 2.0 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
