1ZNL
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 | 53.718, 53.718, 137.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.000 - 1.700 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qy0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.560 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 23022 | |
<I/σ(I)> | 4.8 | 3.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.1 | 6.7 |
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 |