1YP7
Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-21 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 56.459, 56.459, 104.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.230 - 2.000 |
R-factor | 0.1977 |
Rwork | 0.197 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qy0 |
RMSD bond angle | 0.011 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.230 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 11826 | |
<I/σ(I)> | 6 | 6.3 |
Completeness [%] | 98.6 | 99.8 |
Redundancy | 6.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.9 | 291 | CADMIUM CHLORIDE, MALATE, HCL, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |