5KVW
T. danielli thaumatin at 100K, Data set 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.21549 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.469, 57.469, 150.933 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.610 - 1.590 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.19560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rqw |
RMSD bond length | 0.021 |
RMSD bond angle | 2.150 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.613 | 31.613 | 1.680 |
High resolution limit [Å] | 1.590 | 5.030 | 1.590 |
Rmerge | 0.023 | 0.728 | |
Rmeas | 0.050 | 0.027 | 0.863 |
Rpim | 0.024 | 0.014 | 0.452 |
Total number of observations | 141558 | 4666 | 16072 |
Number of reflections | 34655 | ||
<I/σ(I)> | 15.1 | 40.8 | 1.6 |
Completeness [%] | 99.0 | 98.1 | 95.3 |
Redundancy | 4.1 | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 291 | CRYSTALS WERE GROWN BY MIXING EQUAL VOLUMES OF WELL SOLUTION (0.9 M SODIUM/POTASSIUM TARTRATE, 0.2 M AMMONIUM SULFATE, 15% GLYCEROL, 25% PEG 8000, 100 MM HEPES PH 7.3) AND PROTEIN (35 MG/ML) IN THE SITTING DROP FORMAT. |