5UK3
Crystal structure of cyanase from T. urticae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-23 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.074, 81.611, 136.466 |
| Unit cell angles | 90.00, 100.37, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.800 |
| R-factor | 0.22159 |
| Rwork | 0.221 |
| R-free | 0.23997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iv1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.668 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.069 | 0.546 |
| Rmeas | 0.102 | 0.721 |
| Rpim | 0.050 | 0.350 |
| Number of reflections | 38010 | 1906 |
| <I/σ(I)> | 22.5 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Tris pH 7.5, 15% PEG6000 |
