1AAX
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES
Experimental procedure
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 140 |
Detector technology | IMAGE PLATE |
Collection date | 1996-02 |
Detector | FUJI |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.369, 88.369, 104.532 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.000 - 1.900 |
R-factor | 0.182 |
Rwork | 0.182 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 2hnq |
RMSD bond length | 0.009 |
RMSD bond angle | 1.850 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.052 | 0.267 |
Total number of observations | 138889 * | |
Number of reflections | 31197 | 2558 * |
<I/σ(I)> | 24.7 | 2.9 |
Completeness [%] | 82.1 | 69.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 4 * | pH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
10 | 1 | reservoir | HEPES | 0.1 (mM) | |
11 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
12 | 1 | reservoir | PEG8000 | 12-14 (%(w/v)) | |
2 | 1 | drop | Tris-HCl | 5 (mM) | |
3 | 1 | drop | 12.5 (mM) | ||
4 | 1 | drop | EDTA | 0.1 (mM) | |
5 | 1 | drop | dithiothreitol | 1.5 (mM) | |
6 | 1 | drop | BPPM | 1.7 (mM) | |
7 | 1 | drop | HEPES | 0.05 (mM) | |
8 | 1 | drop | magnesium acetate | 0.1 (M) | |
9 | 1 | drop | PEG8000 | 6-7 (%(w/v)) |