2OMQ
VEALYL peptide derived from human insulin chain B, residues 12-17
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 | 2005-07-16 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 1 |
Unit cell lengths | 18.425, 9.613, 21.975 |
Unit cell angles | 90.88, 96.12, 100.93 |
Refinement procedure
Resolution | 21.840 - 2.000 |
R-factor | 0.205 |
Rwork | 0.201 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | polyalanine beta strands with ideal geometry |
RMSD bond length | 0.009 |
RMSD bond angle | 2.271 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.000 | 90.000 | 1.830 |
High resolution limit [Å] | 1.700 | 2.910 | 1.700 |
Rmerge | 0.172 | 0.111 | 0.413 |
Number of reflections | 820 | ||
<I/σ(I)> | 3.9 | ||
Completeness [%] | 93.0 | 95.3 | 91.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 2.5 | 310 | 2mM peptide in 100 mM NaCl and 50 mM phosphate. Crystals can be more easily reproduced by dissolving peptide to 2 mM in water at room temperature, pH 2.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K |