6Q89
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with the Intermediate Analog 5'-O-(N-(L-Leucyl)-Sulfamoyl)Adenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-15 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.942, 82.935, 228.519 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.960 - 2.210 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.22260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A model generated from 3ZJU |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 82.930 | 82.930 | 2.200 |
High resolution limit [Å] | 2.090 | 6.600 | 2.090 |
Rmerge | 0.081 | 0.031 | 1.134 |
Rmeas | 0.087 | 0.033 | 1.213 |
Rpim | 0.031 | 0.013 | 0.427 |
Total number of observations | 419417 | ||
Number of reflections | 56400 | 2009 | 8104 |
<I/σ(I)> | 13.8 | ||
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 7.4 | 6.5 | 7.9 |
CC(1/2) | 0.999 | 0.999 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Holo protein at 10 mg/mL in 10 mM Tris pH 7, 100 mM NaCl, 2.5 mM 2-mercaptoethanol was mixed with 0.1 M bis-tris propane pH 8.5, 0.1 M MgCl2, 20% w/v PEG 3350 and a crystal seed stock in a 0.75:1.0:0.25 (v/v) ratio. The seed stock was prepared in the same crystallization buffer. Suitable crystals were soaked with 1 mM 5'-O-(N-(L-Leucyl)-Sulfamoyl)Adenosine in an equilvalent precipitant solution supplemented with 22% v/v ethylene glycol. |