1Q3E
HCN2J 443-645 in the presence of cGMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 4 |
| Unit cell lengths | 94.236, 94.236, 124.008 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.900 |
| Rwork | 0.210 |
| R-free | 0.23900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.230 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.350 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.056 | 0.242 |
| Number of reflections | 41314 | |
| <I/σ(I)> | 31.1 | |
| Completeness [%] | 97.2 | 85 |
| Redundancy | 35.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 4 * | PEG 400, sodium citrate, sodium chloride, DTT, HEPES, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 200 (mM) | ||
| 2 | 1 | reservoir | citrate | 100 (mM) | pH4.6 |
| 3 | 1 | reservoir | PEG400 | 15 (%) | |
| 4 | 1 | drop | protein | 2.3 (mg/ml) |
