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 |