6I8N
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.727, 55.149, 145.085 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.903 - 1.790 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f8c |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14rc1_3161) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.360 | 48.360 | 1.820 |
High resolution limit [Å] | 1.790 | 9.120 | 1.790 |
Rmerge | 0.067 | 0.037 | 0.634 |
Rmeas | 0.070 | 0.039 | 0.661 |
Rpim | 0.020 | 0.012 | 0.185 |
Total number of observations | 352691 | 2810 | 17511 |
Number of reflections | 27893 | 262 | 1435 |
<I/σ(I)> | 22.2 | 50 | 3.7 |
Completeness [%] | 99.6 | 99.1 | 92.8 |
Redundancy | 12.6 | 10.7 | 12.2 |
CC(1/2) | 0.999 | 0.999 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium propionate/cacodylate/bis-tris propane buffer, pH 7.0, 25% PEG 1500 |