4DIY
Thaumatin I by Classical Hanging Drop Method at 1.98A resolution for Unique Water Distribution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97633 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.710, 57.710, 149.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.860 - 1.980 |
R-factor | 0.1726 |
Rwork | 0.171 |
R-free | 0.20140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 1.980 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.860 | 53.859 | 2.090 |
High resolution limit [Å] | 1.980 | 6.260 | 1.980 |
Rmerge | 0.040 | 0.117 | |
Total number of observations | 8237 | 36343 | |
Number of reflections | 18511 | ||
<I/σ(I)> | 33.6 | 12 | 5.8 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 13.6 | 11.8 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |