5HBC
Intermediate structure of iron-saturated C-lobe of bovine lactoferrin at 2.79 Angstrom resolution indicates the softening of iron coordination
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-12-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.654, 82.580, 107.694 |
| Unit cell angles | 90.00, 128.08, 90.00 |
Refinement procedure
| Resolution | 39.450 - 2.790 |
| R-factor | 0.20948 |
| Rwork | 0.206 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ned |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.857 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.450 | 2.860 |
| High resolution limit [Å] | 2.788 | 2.788 |
| Number of reflections | 27307 | |
| <I/σ(I)> | 16 | |
| Completeness [%] | 99.2 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 300 | 0.05M HEPES, 20% PEG 20000 |
