3E9X
Crystal Structure of the Complex of C-lobe of Lactoferrin with Nimesulide at 2.7 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.570, 50.350, 65.960 |
| Unit cell angles | 90.00, 107.90, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.2056 |
| Rwork | 0.197 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dqv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 10361 | |
| <I/σ(I)> | 8.4 | 1.7 |
| Completeness [%] | 93.5 | 96.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M ZNSO4, 0.1M MES, 25% PEG, MONOETHYL ETHER 550, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
