3FW4
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
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 | 2008-10-30 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 115.421, 115.421, 118.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.790 - 2.300 |
R-factor | 0.25827 |
Rwork | 0.256 |
R-free | 0.28376 |
Starting model (for MR) | 1l6m |
RMSD bond length | 0.005 |
RMSD bond angle | 0.925 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.055 | 0.390 |
Number of reflections | 36375 | |
<I/σ(I)> | 31.5 | 5.09 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |