6Q8A
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976254 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.151, 81.695, 225.429 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 112.710 - 2.110 |
R-factor | 0.2019 |
Rwork | 0.200 |
R-free | 0.24730 |
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 | PHASES |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 112.710 | 112.710 | 2.200 |
High resolution limit [Å] | 2.090 | 6.610 | 2.090 |
Rmerge | 0.076 | 0.048 | 0.596 |
Rmeas | 0.083 | 0.052 | 0.667 |
Rpim | 0.033 | 0.021 | 0.290 |
Number of reflections | 53482 | 1922 | 7011 |
<I/σ(I)> | 13 | ||
Completeness [%] | 97.5 | 98.5 | 89 |
Redundancy | 5.8 | 5.7 | 4.8 |
CC(1/2) | 0.998 | 0.997 | 0.724 |
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 2 mM 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine iin an equilvalent precipitant solution supplemented with 22% v/v ethylene glycol. |