5TCL
Thaumatin from 4.96 A wavelength data collection
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I23 |
Synchrotron site | Diamond |
Beamline | I23 |
Temperature [K] | 43 |
Detector technology | PIXEL |
Collection date | 2016-03-04 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 4.95937 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.769, 57.769, 150.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.933 - 3.201 |
R-factor | 0.2032 |
Rwork | 0.199 |
R-free | 0.24570 |
Structure solution method | SAD |
Starting model (for MR) | 4zg3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.523 |
Data reduction software | XDS (May 1, 2016) |
Data scaling software | XDS (May 1, 2016) |
Phasing software | SHARP (2.8.5) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 150.608 | 3.390 | |
High resolution limit [Å] | 3.200 | 9.470 | 3.200 |
Rmerge | 0.077 | 0.055 | 0.141 |
Number of reflections | 7361 | ||
<I/σ(I)> | 21.38 | 44.24 | 9.35 |
Completeness [%] | 91.5 | 100 | 75.4 |
Redundancy | 9.307 | 14.916 | 5.781 |
CC(1/2) | 0.996 | 0.999 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | 0.7 M K/Na Tartrate, 0.05 M ADA pH 6.8, 20% (v/v) glycerol |