3ILY
Apo crystal structure of protein tyrosine phosphatase from Entamoeba histolytica featuring a disordered active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-30 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 |
Unit cell lengths | 45.674, 45.674, 132.329 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.840 - 2.200 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB enry 3IDO |
RMSD bond length | 0.016 |
RMSD bond angle | 1.529 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.840 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.063 | 0.316 |
Number of reflections | 13504 | |
<I/σ(I)> | 23.6 | 4.3 |
Completeness [%] | 98.3 | 85.4 |
Redundancy | 4.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | ProPlex Screen condition A9, 0.1 M MES pH 6.0, 20% PEG MME 2000, 0.2 M NaCl, 20% glycerol as cryo-protectant, 26.1 mg/mL protein, crystal tracking ID 203694a9, VAPOR DIFFUSION, SITTING DROP |