6YC5
RT structure of Thaumatin obtained at 1.35 A resolution from crystal grown in a Kapton microchip.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 293.5 |
Detector technology | PIXEL |
Collection date | 2017-03-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.390, 58.390, 151.447 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.480 - 1.350 |
R-factor | 0.1279 |
Rwork | 0.127 |
R-free | 0.14830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1thw |
RMSD bond length | 0.014 |
RMSD bond angle | 1.314 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.480 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 52807 | 3906 |
<I/σ(I)> | 11.4 | |
Completeness [%] | 90.1 | |
Redundancy | 4.4 | |
CC(1/2) | 0.995 | 0.786 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 7 | 293.5 | 20% w/v NaK Tartrate |