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 |
