3DB1
Crystal structure of the 2H-phosphatase domain of Sts-2 in complex with phosphate
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 | 2006-08-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.081, 117.025, 121.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.690 - 2.770 |
| R-factor | 0.24704 |
| Rwork | 0.246 |
| R-free | 0.26998 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3d4i |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.379 |
| 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] | 43.700 | 2.900 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Number of reflections | 28141 | |
| <I/σ(I)> | 21 | 2.68 |
| Completeness [%] | 98.6 | 100 |
| Redundancy | 5.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG8000 (w/v), 0.2 M lithium sulfate, 5 to 20 mM strontium chloride, 0.1 M Tris-HCl. Soaked in 0.2 M Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
