6PQA
GAVVGG segment 119-124 from human prion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9465 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 4.786, 12.810, 20.771 |
| Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
| Resolution | 20.750 - 1.460 |
| R-factor | 0.1867 |
| Rwork | 0.180 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.081 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK (1.97.8) |
| Phasing software | PHASER (1.3.2) |
| Refinement software | REFMAC (5.4.0061) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
| Rmerge | 0.145 | 0.095 | 0.311 |
| Number of reflections | 455 | 50 | 41 |
| <I/σ(I)> | 31.4 | ||
| Completeness [%] | 93.6 | 89.3 | 93.2 |
| Redundancy | 5.4 | 5.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10 mg/mL peptide in 2.4 M sodium malonate, pH 7.0 |
