4G8H
Crystal structure of C-lobe of bovine lactoferrin complexed with licofelone at 1.88 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2012-05-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.677, 49.945, 65.558 |
| Unit cell angles | 90.00, 107.13, 90.00 |
Refinement procedure
| Resolution | 62.650 - 1.880 |
| R-factor | 0.16659 |
| Rwork | 0.164 |
| R-free | 0.21199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rgy |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.218 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.650 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Number of reflections | 29213 | |
| <I/σ(I)> | 7.2 | 3.2 |
| Completeness [%] | 91.8 | 93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
