7NU5
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with L-leucine
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 | 2019-02-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978566 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.469, 81.526, 227.154 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.790 - 2.580 |
R-factor | 0.2053 |
Rwork | 0.202 |
R-free | 0.26920 |
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] | 113.580 | 113.580 | 2.620 |
High resolution limit [Å] | 2.490 | 7.860 | 2.490 |
Rmerge | 0.068 | 0.028 | 1.230 |
Rmeas | 0.073 | 0.030 | 1.314 |
Rpim | 0.025 | 0.011 | 0.457 |
Total number of observations | 274693 | 8830 | 39347 |
Number of reflections | 33380 | 1212 | 4779 |
<I/σ(I)> | 15.4 | 49.2 | 1.4 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 8.2 | 7.3 | 8.2 |
CC(1/2) | 0.999 | 0.999 | 0.746 |
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 10 mM L-leucine in an equilvalent precipitant solution supplemented with 22% (v/v) ethylene glycol. |