4WOE
The duplicated taurocyamine kinase from Schistosoma mansoni with bound transition state analog (TSA) components
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-18 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.87 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.695, 122.220, 63.060 |
| Unit cell angles | 90.00, 108.06, 90.00 |
Refinement procedure
| Resolution | 46.740 - 2.300 |
| R-factor | 0.1891 |
| Rwork | 0.185 |
| R-free | 0.25640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wo8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.211 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 67921 | |
| <I/σ(I)> | 7.18 | 2.26 |
| Completeness [%] | 98.6 | 96.4 |
| Redundancy | 3.2 | 2.9 |
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 |
