1X89
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin S
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 | 2003-06-23 |
Wavelength(s) | 1.0 |
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 | 20.000 - 2.100 |
Rwork | 0.220 |
R-free | 0.25100 |
Structure solution method | Used previously-determined structure |
Starting model (for MR) | Previously-determined structure |
RMSD bond length | 0.027 |
RMSD bond angle | 2.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 46500 | |
<I/σ(I)> | 16 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |