3K3L
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin
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 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 114.200, 114.200, 119.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.250 - 2.620 |
R-factor | 0.26395 |
Rwork | 0.260 |
R-free | 0.30710 |
Structure solution method | Used previously-determined structure |
RMSD bond length | 0.005 |
RMSD bond angle | 0.906 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmerge | 0.057 | 0.410 |
Number of reflections | 23965 | |
<I/σ(I)> | 50.3 | 7.51 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |