3JS9
Crystal structure of nucleoside diphosphate kinase family protein from Babesia bovis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976484 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 125.894, 125.894, 101.512 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.080 - 2.500 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | trimer generate from 2VU5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.466 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.149 | 0.677 |
| Number of reflections | 28787 | |
| <I/σ(I)> | 14.3 | 2.4 |
| Completeness [%] | 99.5 | 97.2 |
| Redundancy | 9.2 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | CSHT condition A4, 2.0 M ammonium sulfate, 0.1 M Tris pH 8.5; 0.4:0.4 uL drops; 31.2 mg/mL protein in 25 mM Hepes pH 7.0, 0.3 M NaCl, 10% glycerol, 2 mM DTT; crystal tracking ID 204382a4; non-cleavable expression tag, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
