1ZNE
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-10-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 53.228, 53.228, 137.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.600 - 2.000 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qy0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.710 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.600 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 13860 | |
| <I/σ(I)> | 6.5 | 1.9 |
| Completeness [%] | 98.6 | 100 |
| Redundancy | 5.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 291 | CdCl, Malate, HCl, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
