4WHG
Crystal Structure of TR3 LBD in complex with Molecule 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
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 | 74.551, 76.807, 128.944 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.260 - 2.180 |
R-factor | 0.1874 |
Rwork | 0.185 |
R-free | 0.23470 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.971 |
Data reduction software | HKL-2000 |
Data scaling software | HKL |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.220 |
High resolution limit [Å] | 2.180 | 5.910 | 2.180 |
Rmerge | 0.081 | 0.046 | 0.476 |
Total number of observations | 155445 | ||
Number of reflections | 39232 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 97.8 | 82.3 | 98.2 |
Redundancy | 4 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 277 | PEG4000, Sodium citrate, Glycerol |