4REF
Crystal Structure of TR3 LBD_L449W in complex with Molecule 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.200, 76.843, 128.079 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.030 - 2.100 |
R-factor | 0.18947 |
Rwork | 0.187 |
R-free | 0.22974 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.020 |
RMSD bond angle | 1.872 |
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 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.064 | 0.032 | 0.375 |
Number of reflections | 42959 | ||
<I/σ(I)> | 13.8 | ||
Completeness [%] | 98.9 | 91 | 99.8 |
Redundancy | 4.6 | 4.4 | 4.6 |
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 |