3PX1
Structure of Calcium Binding Protein-1 from Entamoeba histolytica in complex with Strontium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 |
| Unit cell lengths | 95.429, 95.429, 63.973 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.2369 |
| Rwork | 0.235 |
| R-free | 0.28140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nxq |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.815 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.640 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.068 | 0.045 | 0.454 |
| Number of reflections | 6442 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 94.9 | 88.9 | 96.8 |
| Redundancy | 4 | 3.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.6 | 289 | MPD, Sodium Acetate, pH 3.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
