4WO8
The substrate-free duplicated taurocyamine kinase from Schistosoma mansoni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.840, 122.020, 62.970 |
| Unit cell angles | 90.00, 108.10, 90.00 |
Refinement procedure
| Resolution | 46.182 - 2.200 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.22350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j1q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.175 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 38030 | |
| <I/σ(I)> | 11.71 | 2.11 |
| Completeness [%] | 98.7 | 97 |
| Redundancy | 3.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 200 mM ammonium tartrate dibasic pH 5.4, 20% (w/v) polyethylene glycol 3350, 20% (v/v) ethylene glycol |
