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 |