4DJ0
Thaumatin I by Langmuir-Blodgett 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 | 57.840, 57.840, 150.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.810 - 1.980 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.20560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 2.056 |
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] | 53.970 | 50.023 | 2.090 |
High resolution limit [Å] | 1.980 | 6.260 | 1.980 |
Rmerge | 0.042 | 0.278 | |
Total number of observations | 8286 | 36195 | |
Number of reflections | 18619 | ||
<I/σ(I)> | 19.8 | 13 | 2.7 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 13.4 | 11.7 | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |