2VU6
Atomic resolution (0.95 A) structure of purified Thaumatin I grown in sodium meso-tartrate at 19 C.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.886, 54.522, 70.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.850 - 0.950 |
| R-factor | 0.118 |
| Rwork | 0.117 |
| R-free | 0.13600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.961 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.000 | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.060 | |
| Number of reflections | 123941 | |
| <I/σ(I)> | 29.8 | |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 5.9 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.3 | 292 | MICROBATCH METHOD; PROTEIN AT 26 MG/ML IN 10MM SODIUM PHOSPHATE WITH 62.5 MM SODIUM MESO-TARTRATE (PH=7.3) AND 2.5% (V/V) GLYCEROL; CRYSTALS GROWN AT 19 C. |
