2VI1
Atomic resolution (1.04 A) structure of purified thaumatin I grown in sodium D-tartrate at 22 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 | 2007-08-23 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.939, 54.304, 70.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.720 - 1.040 |
| R-factor | 0.129 |
| Rwork | 0.128 |
| R-free | 0.14000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1KWN |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.560 |
| 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 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.050 | 0.700 |
| Number of reflections | 93952 | |
| <I/σ(I)> | 36.1 | 2.2 |
| Completeness [%] | 99.0 | 97.7 |
| Redundancy | 7.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.1 | 295 | 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 22 C |
