1RQW
Thaumatin Structure at 1.05 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M06X |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-10 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.847, 57.847, 150.125 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.050 |
| R-factor | 0.127 |
| R-free | 0.15200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE MODEL |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.026 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 160.000 | 1.150 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Number of reflections | 116807 | |
| <I/σ(I)> | 37.8 | 7.17 |
| Completeness [%] | 97.7 | 96.5 |
| Redundancy | 19.1 | 9.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 298 | Drop: 4ul 40mg/ml thaumatin (in DTNB saturated ddH2O) + 2ul well solution [0.05M ADA pH6.8, 0.6M potassium sodium tartrate (whose 2M stock soution is saturated with DTNB), 20% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.80 |
