1LR2
Crystal structure of thaumatin at high hydrostatic pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-24 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9474 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.867, 57.867, 149.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
Rwork | 0.173 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1thw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.488 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.044 * | 0.056 * |
Number of reflections | 24460 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6.5 | 293 | tartrate, pH 6.5, SMALL TUBES, temperature 293.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 35 (mg/ml) | 1 |
2 | 1 | 1 | Na tartrate | 0.73 (M) | |
3 | 1 | 1 | Na ADA | 0.1 (M) |