2VHR
Atomic resolution (0.95A) structure of purified thaumatin I grown in sodium L-tartrate at 4 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 | 2007-08-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.798, 57.798, 149.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 0.950 |
| R-factor | 0.124 |
| Rwork | 0.123 |
| R-free | 0.13300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1KWN |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.552 |
| 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 | 0.970 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmerge | 0.040 | 0.660 |
| Number of reflections | 154038 | |
| <I/σ(I)> | 36.9 | 3 |
| Completeness [%] | 96.1 | 100 |
| Redundancy | 5.6 | 8.1 |
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 L-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 4 C |
