1ZND
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 | 2005-04-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 53.511, 53.511, 136.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.500 - 1.600 |
R-factor | 0.1891 |
Rwork | 0.188 |
R-free | 0.20440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qy0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.580 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.500 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 26264 | |
<I/σ(I)> | 9.5 | 2.8 |
Completeness [%] | 96.6 | 95 |
Redundancy | 7.1 | 7.1 |
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 |