4JQH
Crystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 3 |
Unit cell lengths | 122.191, 122.191, 122.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.420 - 2.300 |
R-factor | 0.13157 |
Rwork | 0.129 |
R-free | 0.18983 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.443 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.700 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 25770 | |
<I/σ(I)> | 28.6 | |
Completeness [%] | 94.6 | 97.9 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 1.9M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |