4OLF
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase)from Plasmodium falciparum in complex with Halofuginone and AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-01-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.977408 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 106.550, 106.550, 186.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.237 - 2.900 |
R-factor | 0.1994 |
Rwork | 0.198 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ncx |
RMSD bond length | 0.011 |
RMSD bond angle | 1.482 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.980 | |
High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
Rmerge | 0.046 | 0.017 | 0.558 |
Number of reflections | 27391 | 342 | 2035 |
<I/σ(I)> | 23.56 | 59.3 | 3.13 |
Completeness [%] | 98.4 | 90.5 | 99 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | Protein incubated with 4mM each of AMPPnP, halofuginone, B-ME, and MgCl2 for 5min, then added 1 to 1 with Wiz3/4(h5)- 20%PEG-8000, 0.1M HEPES/NaOH, pH=7.5, 10% isopropanol, 0.2M AmSO4, cryoprotected with 20%EG, VAPOR DIFFUSION, SITTING DROP, temperature 289K |