5IRU
Crystal structure of avidin in complex with 1-biotinylpyrene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.160, 81.950, 107.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.880 - 2.000 |
R-factor | 0.22401 |
Rwork | 0.222 |
R-free | 0.26495 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vgw |
RMSD bond length | 0.020 |
RMSD bond angle | 1.979 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.000 | |
Rmerge | 0.082 | 0.508 |
Number of reflections | 34767 | |
<I/σ(I)> | 12.48 | 3.61 |
Completeness [%] | 99.4 | 99.4 |
Redundancy | 6.41 | 6.62 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292.15 | 28% w/v polyethylene glycol monomethyl ether 2000, 0.1 M Bis-Tris, 0.1 M trimethylamine hydrochloride |