3D6A
Crystal structure of the 2H-phosphatase domain of Sts-2 in complex with tungstate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.205, 116.665, 121.471 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.950 - 2.250 |
| R-factor | 0.21068 |
| Rwork | 0.208 |
| R-free | 0.25672 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3d4i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.244 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.098 | 0.565 |
| Number of reflections | 53273 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 99.4 | 97.1 |
| Redundancy | 5.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.2 M Lithium sulfate, 0.1 M Tris-HCl, 5-20 mM Strontium chloride, 20% PEG8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
