1ZNH
Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 53.662, 53.662, 137.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.100 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qy0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.630 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 12103 | |
| <I/σ(I)> | 4.2 | 4.7 |
| Completeness [%] | 97.4 | 93.1 |
| Redundancy | 5.9 | 5.8 |
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 |
