2NXX
Crystal Structure of the Ligand-Binding Domains of the T.castaneum (Coleoptera) Heterodimer EcrUSP Bound to Ponasterone A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.540, 89.628, 160.247 |
Unit cell angles | 90.00, 91.97, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.750 |
R-factor | 0.249 |
Rwork | 0.249 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PonA-bound HvEcR/HsRXRa (no H12) BtEcR/BtUSP (no H12) |
RMSD bond length | 0.008 |
RMSD bond angle | 1.568 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.069 | 0.238 |
Number of reflections | 56221 | |
<I/σ(I)> | 7.8 | 3.4 |
Completeness [%] | 98.1 | 95 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 6% PEG 4000, 50 mM Pipes (pH=6.5), 50 mM NaCl, 10 mM Hepes (pH=7.5), 2 mM TCEP against a reservoir containing 12% PEG 4000, 100 mM Pipes (pH=6.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |