3TZE
Crystal structure of a tryptophanyl-tRNA synthetase from Encephalitozoon cuniculi bound to tryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-20 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.110, 79.160, 177.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.2044 |
Rwork | 0.202 |
R-free | 0.24720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ulh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.392 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.670 |
High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
Rmerge | 0.078 | 0.025 | 0.517 |
Number of reflections | 23335 | 321 | 1575 |
<I/σ(I)> | 14.71 | 36.17 | 2.23 |
Completeness [%] | 96.5 | 98.5 | 89.5 |
Redundancy | 4.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | EncuA.00600.a.A1 PS00344 at 23.5 mg/mL against Wizard III screen from Emerald BioSystems, 20% PEG 3350, 0.2 M potassium nitrate, crystal tracking ID 221699a8, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |