4XKZ
Crystal structure of the C-terminal anticodon loop binding domain of a valyl-tRNA synthetase from Pseudomonas aeruginosa
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 | 2014-12-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 103.360, 103.360, 79.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.950 |
R-factor | 0.1576 |
Rwork | 0.156 |
R-free | 0.19340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.775 |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 | |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.063 | 0.028 | 0.469 |
Rmeas | 0.068 | 0.030 | 0.503 |
Total number of observations | 236363 | ||
Number of reflections | 31655 | 397 | 2309 |
<I/σ(I)> | 20.8 | 50.91 | 3.75 |
Completeness [%] | 99.3 | 90.4 | 100 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | PsaeA.18849.a.B4.PW37589 at 18 mg/mL against Morpheus screen condition B6 10% PEG 8000, 20% ethylene glycol, 0.1 M MOPS-HEPES, pH7.5, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, crystal tracking ID 259627b6, unique puck ID oaf3-9 |