7NU4
Crystal Structure of Neisseria gonorrhoeae LeuRS
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 | 2018-12-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.778, 81.904, 224.879 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.220 - 2.180 |
R-factor | 0.1868 |
Rwork | 0.184 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q89 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.960 | 74.960 | 2.200 |
High resolution limit [Å] | 2.090 | 6.590 | 2.090 |
Rmerge | 0.119 | 0.035 | 1.265 |
Rmeas | 0.128 | 0.038 | 1.355 |
Rpim | 0.046 | 0.014 | 0.482 |
Total number of observations | 410661 | 13243 | 61487 |
Number of reflections | 54838 | 1946 | 7892 |
<I/σ(I)> | 10.9 | 35.4 | 1.5 |
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 7.5 | 6.8 | 7.8 |
CC(1/2) | 0.998 | 0.999 | 0.720 |
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 cryo-protected in an equilvalent precipitant solution supplemented with 22% (v/v) ethylene glycol. |