5JON
Crystal structure of the unliganded form of HCN2 CNBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.517, 42.010, 198.376 |
| Unit cell angles | 90.00, 90.85, 90.00 |
Refinement procedure
| Resolution | 24.820 - 2.042 |
| R-factor | 0.18237 |
| Rwork | 0.180 |
| R-free | 0.22084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1anf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.322 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.115 | 0.667 |
| Number of reflections | 62519 | |
| <I/σ(I)> | 7.6 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 34-36% dimethyl PEG 500, 240 mM potassium nitrate, 20 mM magnesium chloride, 100 mM BIS-TRIS, pH 6.0 |
