2IUO
Site Directed Mutagenesis of Key Residues Involved in the Catalytic Mechanism of Cyanase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.600, 80.750, 82.280 |
| Unit cell angles | 70.02, 71.81, 66.34 |
Refinement procedure
| Resolution | 76.700 - 1.900 |
| R-factor | 0.152 |
| Rwork | 0.149 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dw9 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.845 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.050 | 0.240 |
| Number of reflections | 129043 | |
| <I/σ(I)> | 14 | 2.5 |
| Completeness [%] | 92.5 | 59.9 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | CRYSTALS WERE GROWN BY THE SITTING DROP METHOD OF VAPOUR DIFFUSION FROM 50% AMMONIUM SULPHATE SOLUTIONS BUFFERED WITH 50MM NAKPO4, PH = 7.3, AND IN THE PRESENCE OF 50 MM TRIC/HCL, PH =7.3. |
