5URB
Crystal Structure of Methionyl-tRNA synthetase (MetRS) from Acinetobacter baumannii with bound L-Methionine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.910, 108.410, 78.570 |
Unit cell angles | 90.00, 90.69, 90.00 |
Refinement procedure
Resolution | 37.726 - 1.900 |
R-factor | 0.157 |
Rwork | 0.156 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rqg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.750 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MR-Rosetta |
Refinement software | PHENIX ((dev_2666)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.726 | 37.726 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.065 | 0.030 | 0.450 |
Rmeas | 0.075 | 0.036 | 0.524 |
Total number of observations | 347616 | ||
Number of reflections | 91493 | 1057 | 6712 |
<I/σ(I)> | 13.93 | 31.27 | 3.11 |
Completeness [%] | 99.3 | 97.5 | 98.9 |
Redundancy | 3.799 | 3.578 | 3.804 |
CC(1/2) | 0.998 | 0.998 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | AcbaB.10201.a.A2.PW37928 at 40 mg/ml incubated with 5 mM L-Met then mixed 1:1 with an equal volume JCSG+(c3): 20% (w/v) PEG-3350, 200 mM ammonium nitrate, cryoprotected with 20% ethylene glycol |