1C87
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-01-01 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.898, 87.898, 103.092 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 6.000 - 2.100 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ecv |
RMSD bond length | 0.018 |
RMSD bond angle | 2.680 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.055 | 0.033 |
Number of reflections | 26928 | |
<I/σ(I)> | 16.2 | 3 |
Completeness [%] | 98.4 | 96.6 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris | 10 (mM) | |
3 | 1 | drop | 25 (mM) | ||
4 | 1 | drop | EDTA | 0.2 (mM) | |
5 | 1 | drop | dithiothreitol | 3 (mM) | |
6 | 1 | reservoir | HEPES | 0.1 (M) | |
7 | 1 | reservoir | sodium acetate | 0.2-0.4 (M) | or magnesium acetate |
8 | 1 | reservoir | PEG8000 | 12-16 (%) | and/or 4%(v/v) glycerol |