2VI2
Atomic resolution (1.05 A) structure of purified Thaumatin I grown in sodium D-tartrate at 4C
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 | 2007-11-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.908, 57.908, 150.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 1.080 |
| R-factor | 0.119 |
| Rwork | 0.119 |
| R-free | 0.12600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1KWN |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.524 |
| 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 | 1.100 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.040 | 0.180 |
| Number of reflections | 105746 | |
| <I/σ(I)> | 56.8 | 8.3 |
| Completeness [%] | 95.6 | 70.9 |
| Redundancy | 8.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.1 | 277 | MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM D-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 4 C |
