3HWD
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric 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 | 115.825, 115.825, 119.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.950 |
R-factor | 0.2595 |
Rwork | 0.257 |
R-free | 0.30292 |
Structure solution method | Used previously-determined structure |
Starting model (for MR) | 1l6m |
RMSD bond length | 0.005 |
RMSD bond angle | 0.829 |
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 | 3.100 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.084 | 0.360 |
Number of reflections | 16029 | |
<I/σ(I)> | 25.3 | 5.8 |
Completeness [%] | 91.0 | 93.7 |
Redundancy | 8.7 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 0.2M lithium sulfate, 20% PEG 3350, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |