3CMP
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A 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 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 114.908, 114.908, 118.832 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.960 - 2.800 |
| R-factor | 0.25108 |
| Rwork | 0.248 |
| R-free | 0.30397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l6m |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.941 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.480 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.077 | 0.405 |
| Number of reflections | 20066 | |
| <I/σ(I)> | 29.85 | 5.92 |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 9.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 0.2M Ammonium sulfate, 30% PEG4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
