7Q34
Crystal structure of the multidrug binding transcriptional regulator LmrR in complex squaraine dye
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.48459 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.658, 68.019, 200.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.510 - 2.600 |
R-factor | 0.2445 |
Rwork | 0.241 |
R-free | 0.31670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f8b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.819 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.429 | 66.953 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.093 | 2.667 | |
Rmeas | 0.159 | 0.104 | 2.863 |
Rpim | 0.047 | 0.031 | 0.834 |
Total number of observations | 226610 | 7715 | 32592 |
Number of reflections | 19703 | 736 | 2807 |
<I/σ(I)> | 9.4 | 21.3 | 1.3 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 11.5 | 10.5 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 100 mM Hepes, pH 7.5, 5 mM NiCl2, 5 mM MgCl2, 5 mM CdCl2, 12% PEG 3350 |