7NUC
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant in Complex with ATP and L-leucinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978565 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.912, 81.588, 216.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.367 - 2.770 |
R-factor | 0.189 |
Rwork | 0.185 |
R-free | 0.26440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q89 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 108.490 | 108.490 | 2.900 |
High resolution limit [Å] | 2.750 | 8.710 | 2.750 |
Rmerge | 0.368 | 0.122 | 1.576 |
Rmeas | 0.391 | 0.130 | 1.670 |
Rpim | 0.131 | 0.045 | 0.549 |
Total number of observations | 203391 | 6721 | 30555 |
Number of reflections | 23377 | 862 | 3349 |
<I/σ(I)> | 6.4 | 14.2 | 2 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 8.7 | 7.8 | 9.1 |
CC(1/2) | 0.979 | 0.987 | 0.715 |
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 5 mM ATP and 5 mM L-leucinol in an equilvalent precipitant solution supplemented with 22% v/v ethylene glycol. |