2I6J
Crystal structure of the complex of the archaeal sulfolobus PTP-fold phosphatase with phosphate ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2005-11-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 |
Unit cell lengths | 72.289, 72.289, 32.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.660 |
Rwork | 0.208 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ohe |
RMSD bond length | 0.005 |
RMSD bond angle | 1.443 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.460 | 0.460 |
Number of reflections | 19596 | |
<I/σ(I)> | 25.1 | 2.26 |
Completeness [%] | 87.2 | |
Redundancy | 4.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |