5F5W
Crystal structure of the alpha subunit of glycyl tRNA synthetase (GlyRS) from Aquifex aeolicus in complex with an analog of glycyl adenylate (Gly-SA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9785 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 101.829, 130.010, 145.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.166 - 2.810 |
R-factor | 0.2396 |
Rwork | 0.239 |
R-free | 0.25210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j5w |
RMSD bond length | 0.011 |
RMSD bond angle | 1.462 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.5.10) |
Phasing software | BALBES (1.1.5) |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.430 | 2.910 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.084 | 0.584 |
Number of reflections | 47824 | |
<I/σ(I)> | 9.7 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | Drops containing 1 microliter of alpha-AaGlyRS at 15 mg/ml yielded crystals at 18C when mixed with 1 microliter of a reservoir solution containing 30% polyethylene glycol monomethyl ether 2000 and 100 mM potassium thiocyanate. Crystals were soaked for 2 days in a solution containing a final concentration of 28 mM GSAd by mixing 1.3 microliters of the drop containing crystals, 2.5 microliters of reservoir solution and 1.5 microliters of GSAd at 100 mM |