7XRO
LysR-family transcriptional regulator RipR effector binding domain with its effector, 3-phenylpropionic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100.15 |
Detector technology | CCD |
Collection date | 2022-03-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97957 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 83.107, 83.107, 172.199 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.700 - 2.800 |
R-factor | 0.2177 |
Rwork | 0.213 |
R-free | 0.25630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7v5v |
Data reduction software | HKL-2000 (v722) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.700 | 28.700 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.021 | 1.697 | |
Rmeas | 0.095 | 0.021 | 1.744 |
Rpim | 0.021 | 0.005 | 0.398 |
Total number of observations | 341941 | 11039 | 47185 |
Number of reflections | 17475 | 608 | 2525 |
<I/σ(I)> | 26.8 | 106.5 | 2.1 |
Completeness [%] | 99.4 | 95.6 | 99.5 |
Redundancy | 19.6 | 18.2 | 18.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 286.15 | 0.1 M sodium cacodylate trihydrate (pH 6.5), 1.4 M ammonium sulfate |