3MBS
Crystal structure of 8mer PNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Wavelength(s) | 0.8266 |
Spacegroup name | P 1 |
Unit cell lengths | 18.870, 28.920, 54.970 |
Unit cell angles | 88.10, 85.75, 79.56 |
Refinement procedure
Resolution | 18.510 - 1.270 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.22000 |
Structure solution method | AB INITIO PHASING |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.270 |
Rmerge | 0.060 |
Number of reflections | 25324 |
<I/σ(I)> | 21.2 |
Completeness [%] | 91.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.2 | 40% ethylenglycol 0.1 M Na/K/phosphate, pH 6.2, VAPOR DIFFUSION, temperature RTK | |
1 | VAPOR DIFFUSION | 6.2 | 40% ethylenglycol 0.1 M Na/K/phosphate, pH 6.2, VAPOR DIFFUSION, temperature RTK | |
1 | VAPOR DIFFUSION | 6.2 | 40% ethylenglycol 0.1 M Na/K/phosphate, pH 6.2, VAPOR DIFFUSION, temperature RTK |