3P0I
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, cubic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-19 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97908 |
Spacegroup name | I 2 3 |
Unit cell lengths | 241.400, 241.400, 241.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.350 - 3.130 |
R-factor | 0.2409 |
Rwork | 0.239 |
R-free | 0.26790 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3p0h |
RMSD bond length | 0.010 |
RMSD bond angle | 1.162 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (CCP4_3.3.16) |
Phasing software | REFMAC |
Refinement software | REFMAC (refmac_5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.350 | 85.350 | 3.300 |
High resolution limit [Å] | 3.130 | 9.890 | 3.130 |
Rmerge | 0.182 | 0.014 | 0.014 |
Number of reflections | 41253 | ||
<I/σ(I)> | 7.3331 | ||
Completeness [%] | 99.9 | 99.52 | 99.82 |
Redundancy | 7.98 | 8.26 | 6.96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | equal volumes SeMet protein solution (24 mg/ml LmTyrRS in MSGPP buffer containing 5 mM DTT and 10 mM tyrosinol) and well solution (25% PEG 3350, 0.1 M tri-sodium citrate pH 5.5, 10 mM Ferric III Chloride); cryoprotected by addition of 26% PEG 3350, 8% MSGPP buffer, 8% ethylene glycol, 20% glycerol and 0.09 M tri-sodium citrate pH 5.5 directly to drop prior to mounting and freezing crystals in liquid nitrogen, VAPOR DIFFUSION, SITTING DROP, temperature 277K |