3D4I
Crystal structure of the 2H-phosphatase domain of Sts-2
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 | 2006-06-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.887, 115.707, 121.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.190 - 1.950 |
R-factor | 0.21027 |
Rwork | 0.208 |
R-free | 0.24806 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.330 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 80016 | |
<I/σ(I)> | 4.5 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20% PEG4000,0.2 M Lithium sulfate, 5 to 20 mM Strontium chloride, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |