2ZMB
Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with parecoxib at 2.9 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.520, 50.402, 66.289 |
| Unit cell angles | 90.00, 107.99, 90.00 |
Refinement procedure
| Resolution | 19.690 - 2.900 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2doj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.900 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 8707 | |
| <I/σ(I)> | 6.3 | 1.7 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MES, PEG, MONOMETHYLETHER, 0.1M ZNSO4, VAPOR DIFFUSION, HANGING DROP, pH 6.5, temperature 298K |
