7WWN
Structure of hypothetical protein TTHA1873 from Thermus thermophilus with Potassium mercuric iodide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-06-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.570, 42.570, 156.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.040 - 2.050 |
R-factor | 0.2066 |
Rwork | 0.204 |
R-free | 0.26310 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.656 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.020 | 2.090 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 8938 | 195 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 89.6 | |
Redundancy | 22.6 | |
CC(1/2) | 0.998 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M Tris pH 8.5 and 3.0 M Sodium chloride |