3U72
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Isoniazid at 2.2 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 | 2011-09-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.400, 49.890, 65.200 |
| Unit cell angles | 90.00, 107.14, 90.00 |
Refinement procedure
| Resolution | 38.940 - 2.200 |
| R-factor | 0.19567 |
| Rwork | 0.194 |
| R-free | 0.22996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ib0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.773 |
| 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] | 39.840 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 19581 | |
| <I/σ(I)> | 6.4 | 3.4 |
| Completeness [%] | 99.5 | 99.6 |
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 |
