6HB6
Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-uridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.968625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.705, 66.316, 91.246 |
Unit cell angles | 90.00, 101.44, 90.00 |
Refinement procedure
Resolution | 28.110 - 1.920 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.23300 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.430 | 89.430 | 1.930 |
High resolution limit [Å] | 1.830 | 5.780 | 1.830 |
Rmerge | 0.055 | 0.029 | 0.968 |
Rmeas | 0.064 | 0.034 | 1.126 |
Rpim | 0.033 | 0.017 | 0.568 |
Total number of observations | 317274 | 9987 | 45658 |
Number of reflections | 84006 | 2773 | 12117 |
<I/σ(I)> | 10.9 | 30.3 | 1.4 |
Completeness [%] | 99.2 | 99.1 | 98.7 |
Redundancy | 3.8 | 3.6 | 3.8 |
CC(1/2) | 0.999 | 0.999 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Holo enzyme crystals were grown in 0.1 M BIS-TRIS pH 6.5, 10-15% PEG 3350, 20 mM glutamate (1M stock solution adjusted to pH 6), 20% (v/v) ethylene glycol. For soaking, crystals were transferred to drop containing mother liquor supplemented with 2 mM inhibitor. |