7ACM
Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with TMAO at 1.76 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.762, 74.134, 51.710 |
Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
Resolution | 42.294 - 1.763 |
R-factor | 0.1599 |
Rwork | 0.158 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x5i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.036 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.294 | 42.294 | 1.870 |
High resolution limit [Å] | 1.760 | 5.250 | 1.760 |
Rmerge | 0.072 | 0.042 | 0.608 |
Rmeas | 0.078 | 0.045 | 0.660 |
Total number of observations | 189816 | ||
Number of reflections | 28947 | 1144 | 4459 |
<I/σ(I)> | 14.73 | 38.26 | 2.42 |
Completeness [%] | 97.9 | 99.4 | 93.7 |
Redundancy | 6.557 | 6.6 | 6.432 |
CC(1/2) | 0.999 | 0.998 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M TMAO, 0.1 M HEPES pH 7.5, 10% PEG 3350 |