8C9D
Priestia megaterium W130Q mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-17 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9998692899475056 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 108.220, 108.220, 240.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.340 - 2.300 |
R-factor | 0.2031 |
Rwork | 0.201 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.613 |
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] | 49.340 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.151 | 2.203 |
Rmeas | 0.154 | 2.395 |
Rpim | 0.030 | 0.030 |
Number of reflections | 64242 | 5093 |
<I/σ(I)> | 22.62 | 1.38 |
Completeness [%] | 93.3 | 81 |
Redundancy | 25.6 | 21 |
CC(1/2) | 0.999 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 5 mM Ile-AMS and 16.5 mg/ml W130Q-PmIleRS2 were mixed in 1:1 ratio with the well solution containing: 0.2-0.5 M Potassium tartrate, 10-20 % (w/v) 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 4 degrees. |