8C9E
Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with an isoleucyl-adenylate analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000305674358714 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 127.090, 127.090, 163.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.770 - 2.900 |
R-factor | 0.244 |
Rwork | 0.242 |
R-free | 0.26920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.425 |
Data reduction software | XDS (20190806) |
Data scaling software | XSCALE (20190806) |
Phasing software | PHASER (CCP4Interface 7.0.077) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.770 | 3.004 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.067 | 3.219 |
Rmeas | 0.069 | 3.295 |
Rpim | 0.015 | 0.700 |
Number of reflections | 34322 | 2499 |
<I/σ(I)> | 30.66 | 0.98 |
Completeness [%] | 92.9 | 74.11 |
Redundancy | 20.8 | 22 |
CC(1/2) | 1.000 | 0.605 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 5 mM Ile-AMS and 20 mg/ml wt-HMGH-PmIleRS1 were mixed in 1:1 ratio with the well solution containing: 300 mM lithium sulfate, 150 mM sodium sulfate, and 15 - 25 % PEG3350, 25 mM Hepes-KOH pH=7.5 at 20 oC, 50 mM NaCl. The drop volume of 2 microliters, was equilibrated towards 300 microliters of the well solution at 19 degrees. |