7NU8
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with the Reaction Intermediate Leu-AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980118 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.792, 82.449, 226.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.740 - 2.110 |
R-factor | 0.1916 |
Rwork | 0.190 |
R-free | 0.23160 |
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 (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.490 | 77.490 | 2.180 |
High resolution limit [Å] | 2.070 | 6.530 | 2.070 |
Rmerge | 0.077 | 0.031 | 1.157 |
Rmeas | 0.082 | 0.033 | 1.222 |
Rpim | 0.027 | 0.011 | 0.389 |
Total number of observations | 530091 | 17096 | 79969 |
Number of reflections | 57375 | 2036 | 8254 |
<I/σ(I)> | 15.3 | 46.9 | 1.8 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9.2 | 8.4 | 9.7 |
CC(1/2) | 0.999 | 0.999 | 0.740 |
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-leucine in an equilvalent precipitant solution supplemented with 22% (v/v) ethylene glycol. |