5KID
Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 115.547, 115.547, 118.028 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.150 |
R-factor | 0.23376 |
Rwork | 0.232 |
R-free | 0.26343 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l6m |
RMSD bond length | 0.015 |
RMSD bond angle | 1.620 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.150 |
Number of reflections | 42554 |
<I/σ(I)> | 25.7 |
Completeness [%] | 96.8 |
Redundancy | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | NaCl,Li2SO4,Acetate, Ammonium Sulphate |