6R1P
EthR ligand complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.96 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.764, 121.764, 33.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.550 - 1.800 |
R-factor | 0.17826 |
Rwork | 0.177 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nim |
RMSD bond length | 0.012 |
RMSD bond angle | 1.819 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 44875 | 6620 |
<I/σ(I)> | 21.3 | |
Completeness [%] | 99.6 | 98.1 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 10 mM MES, 1.4-1.6M Ammonium sulphate |