6XGT
Crystal structure of cyanase from the thermophilic fungus Thermomyces lanuginosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.368, 157.639, 163.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.360 - 2.200 |
| R-factor | 0.15679 |
| Rwork | 0.154 |
| R-free | 0.20182 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dw9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.931 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 | 0.381 |
| Number of reflections | 99692 | 9819 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2% (w/v) Tacsimate (pH 8.0), 0.1 M Tris (pH 8.5), and 16% (w/v) polyethylene glycol 3,350 |
