4FIM
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 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 | 2012-05-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.511, 49.817, 65.419 |
| Unit cell angles | 90.00, 107.03, 90.00 |
Refinement procedure
| Resolution | 62.550 - 1.800 |
| R-factor | 0.16225 |
| Rwork | 0.160 |
| R-free | 0.21075 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ib0 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.210 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.550 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 35925 | |
| <I/σ(I)> | 23.2 | 2.3 |
| Completeness [%] | 100.0 | 100 |
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 |
