5HLM
Crystal structure of avidin complex with a ferrocene biotin derivative
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 | 2013-12-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.07106 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.200, 74.910, 76.180 |
Unit cell angles | 90.00, 106.17, 90.00 |
Refinement procedure
Resolution | 37.460 - 2.500 |
R-factor | 0.20444 |
Rwork | 0.202 |
R-free | 0.25354 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vgw |
RMSD bond length | 0.018 |
RMSD bond angle | 2.026 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.500 | |
Rmerge | 0.048 | 0.396 |
Number of reflections | 14959 | |
<I/σ(I)> | 12.57 | 2.86 |
Completeness [%] | 91.8 | |
Redundancy | 2.93 | 2.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292.15 | 0.2M potassium thiocyanate, 0.1M BIS-TRIS pH 6.5 and 22% w/v polyethylene glycol 3350 |