2VI3
Atomic resolution (0.98 A) structure of purified thaumatin I grown in sodium DL-tartrate at 20 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 | 2007-08-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.849, 57.849, 149.978 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.980 |
| R-factor | 0.125 |
| Rwork | 0.124 |
| R-free | 0.13400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1KWN |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.525 |
| 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] | 20.000 | 1.000 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.060 | 0.530 |
| Number of reflections | 145126 | |
| <I/σ(I)> | 37.8 | 2.1 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 10.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.1 | 293 | MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM DL-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 20 C |
