5F9Z
Crystal Structure of Prolyl-tRNA Synthetase from Cryptosporidium parvum complexed with Halofuginone and AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.400, 108.720, 126.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.611 - 2.400 |
R-factor | 0.2087 |
Rwork | 0.207 |
R-free | 0.23410 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5f9y |
RMSD bond length | 0.002 |
RMSD bond angle | 0.486 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_2219) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.105 | 0.025 | 0.573 |
Rmeas | 0.119 | 0.029 | 0.662 |
Total number of observations | 205387 | ||
Number of reflections | 48156 | 619 | 3420 |
<I/σ(I)> | 11.07 | 36.3 | 2.6 |
Completeness [%] | 98.4 | 95.4 | 95.5 |
Redundancy | 4.3 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | CrpaA.18681.a.B3.PW37711 at 21.5 mg/mlprotein was incubated with 4 mM MgCl2, halofuginone, and AMPPNP, then mixed 1:1 with Top96(a5):0.1 M HEPES:NaOH, pH = 7.5, 20% (w/v) PEG-4000, 10% (v/v) 2-propanol, harvested with 20% ethylene glycol4 mM MgCl2, halofuginone, and AMPPNP, then mixed 1:1 with Top96(a5):0.1 M HEPES:NaOH, pH = 7.5, 20% (w/v) PEG-4000, 10% (v/v) 2-propanol, harvested with 20% ethylene glycol |