4REE
Crystal Structure of TR3 LBD in complex with Molecule 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.829, 76.615, 128.531 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.210 - 2.370 |
R-factor | 0.20163 |
Rwork | 0.200 |
R-free | 0.24114 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.017 |
RMSD bond angle | 1.806 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.410 |
High resolution limit [Å] | 2.370 | 6.430 | 2.370 |
Rmerge | 0.086 | 0.064 | 0.505 |
Number of reflections | 30429 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.2 | 91.2 | 99.9 |
Redundancy | 4.2 | 4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.2 | 277 | PEG4000, Sodium citrate, Glycerol, pH 4.2, vapor diffusion, temperature 277K |