1OET
Oxidation state of protein tyrosine phosphatase 1B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RIGAKU MSC |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.628, 88.628, 105.061 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 76.700 - 2.300 |
R-factor | 0.171 |
Rwork | 0.168 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c83 |
RMSD bond length | 0.013 * |
RMSD bond angle | 1.400 * |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.29) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.092 | 0.250 |
Total number of observations | 43942 * | |
Number of reflections | 20755 | |
<I/σ(I)> | 7.3 | 2.8 |
Completeness [%] | 96.0 | 94.9 |
Redundancy | 2.1 | 2.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 4 * | Barford, D., (1994) J. Mol. Biol., 239, 726. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PTP1B | 10 (mg/ml) | |
2 | 1 | reservoir | HEPES | 0.1 (M) | |
3 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
4 | 1 | reservoir | PEG8000 | 12-16 (%(w/v)) |