6PQ5
AGAAAA segment 113-118 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 | 2007-07-31 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 18.533, 9.508, 17.632 |
Unit cell angles | 90.00, 120.54, 90.00 |
Refinement procedure
Resolution | 15.960 - 1.500 |
R-factor | 0.23694 |
Rwork | 0.234 |
R-free | 0.27122 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.102 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK (1.98.5) |
Phasing software | PHASER (1.3.2) |
Refinement software | REFMAC (5.4.0061) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 836 | 63 |
<I/σ(I)> | 5.42 | |
Completeness [%] | 91.5 | 64.9 |
Redundancy | 3.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 35 mg/mL peptide in 1.92 M sodium malonate, pH 4.0 |