3TOD
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1-Butyl-1H-Pyrazole-5-carboxylic acid at 1.38 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 | 2011-07-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.415, 49.977, 65.289 |
| Unit cell angles | 90.00, 107.14, 90.00 |
Refinement procedure
| Resolution | 62.390 - 1.380 |
| R-factor | 0.20156 |
| Rwork | 0.200 |
| R-free | 0.23621 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ib0 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.422 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.390 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Number of reflections | 72933 | |
| <I/σ(I)> | 18.2 | 3 |
| Completeness [%] | 97.2 | 91.5 |
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 |
