3IDO
Crystal structure of protein tyrosine phosphatase from Entamoeba histolytica with a phosphotyrosine crude mimic HEPES molecule in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9765 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.579, 70.409, 79.189 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.930 - 2.200 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xww |
RMSD bond length | 0.010 |
RMSD bond angle | 1.211 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.930 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.140 | 0.492 |
Number of reflections | 17494 | |
<I/σ(I)> | 7.7 | 2.43 |
Completeness [%] | 98.6 | 89.5 |
Redundancy | 8.1 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | ProPlex condition F1, 0.1 M Hepes pH 7.0, 20% PEG 8000, 25% glycerol as cryo-protectant, 26.1 mg/mL protein, 0.1 mg/mL chymotrypsin, crystal tracking ID 203694f1, VAPOR DIFFUSION, SITTING DROP, temperature 289K |