2I6P
Crystal structure of the complex of the archaeal sulfolobus PTP-fold phosphatase with pNPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2006-08-01 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.200, 57.652, 42.517 |
Unit cell angles | 90.00, 92.87, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.224 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ohe |
RMSD bond length | 0.007 |
RMSD bond angle | 1.345 |
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 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.077 | 0.319 |
Number of reflections | 4664 | |
<I/σ(I)> | 17.6 | 2.77 |
Completeness [%] | 80.6 | 91.7 |
Redundancy | 2.8 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |