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 |