8YRF
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenyl-cysteine
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-02-27 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54178 |
Spacegroup name | P 32 |
Unit cell lengths | 63.310, 63.310, 63.920 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.650 - 2.660 |
R-factor | 0.22942 |
Rwork | 0.227 |
R-free | 0.27441 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.252 |
Data reduction software | ADDREF |
Data scaling software | SCALA |
Phasing software | ACORN |
Refinement software | PHENIX (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.650 | 2.790 |
High resolution limit [Å] | 2.660 | 2.660 |
Rmerge | 0.069 | 0.597 |
Rpim | 0.036 | 0.321 |
Number of reflections | 8266 | 1104 |
<I/σ(I)> | 15.7 | |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 4.5 | |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.3 M Magnesium nitrate, 0.1 M Tris-HCl, pH 8.0, 20%(w/v) PEG 2000 and 2% (w/v) MPD |