5T3G
thaumatin soaked with selenourea for 10 min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.615, 57.615, 150.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.650 - 1.550 |
| R-factor | 0.13159 |
| Rwork | 0.130 |
| R-free | 0.16618 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.079 | 0.089 |
| Number of reflections | 35390 | |
| <I/σ(I)> | 41 | 1.9 |
| Completeness [%] | 97.7 | 95.9 |
| Redundancy | 7.3 | 9.1 |
| CC(1/2) | 0.092 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 750 mM sodium/potassium tartrate, 100 mM citrate buffer pH 6.5 |
