6FJ6
Structure of Thaumatin collected at 100K on ID30B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9787 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.951, 57.951, 150.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.090 - 1.080 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.16645 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e0a |
RMSD bond length | 0.017 |
RMSD bond angle | 1.822 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.090 | 1.120 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.054 | 0.514 |
Rmeas | 0.069 | 0.845 |
Rpim | 0.029 | 0.544 |
Number of reflections | 99222 | 6841 |
<I/σ(I)> | 11.8 | 0.8 |
Completeness [%] | 89.9 | 63.5 |
Redundancy | 3.6 | 1.6 |
CC(1/2) | 0.996 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 0.7 M sodium/potassium tartrate and 20% glycerol. |