6BBX
Crystal structure of TnmS3 in complex with TNM C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-06-09 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.310, 67.760, 83.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.310 - 2.200 |
R-factor | 0.21837 |
Rwork | 0.216 |
R-free | 0.26042 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5upm |
RMSD bond length | 0.016 |
RMSD bond angle | 1.937 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.310 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.170 | 0.837 |
Number of reflections | 12754 | 1654 |
<I/σ(I)> | 6.9 | 1.9 |
Completeness [%] | 96.3 | 82.4 |
Redundancy | 4.7 | 4.5 |
CC(1/2) | 0.980 | 0.525 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 298 | 100 mM ammonium acetate, 100 mM bis-Tris, and 17% w/v polyethylene glycol 3350. |