6HB5
Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-cytidine
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 | 81.611, 65.049, 90.686 |
Unit cell angles | 90.00, 101.35, 90.00 |
Refinement procedure
Resolution | 27.530 - 1.880 |
R-factor | 0.194 |
Rwork | 0.193 |
R-free | 0.22400 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
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] | 88.910 | 88.910 | 1.800 |
High resolution limit [Å] | 1.710 | 5.410 | 1.710 |
Rmerge | 0.074 | 0.040 | 1.177 |
Rmeas | 0.087 | 0.046 | 1.368 |
Rpim | 0.044 | 0.023 | 0.689 |
Total number of observations | 371877 | ||
Number of reflections | 98934 | 3307 | 14248 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 98.4 | 99.5 | 97.6 |
Redundancy | 3.8 | 3.6 | 3.8 |
CC(1/2) | 0.998 | 0.998 | 0.681 |
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) EG. For soaking crystals were transferred to drop containing mother liquor supplemented with 2 mM inhibitor. |