3QJK
Structure of Calcium Binding Protein-1 from Entamoeba histolytica in complex with Lead
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-05 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 63 |
| Unit cell lengths | 95.264, 95.264, 64.597 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.082 - 3.001 |
| R-factor | 0.2549 |
| Rwork | 0.252 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nxq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.854 |
| Data reduction software | AUTOMAR |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.054 | 0.054 |
| Number of reflections | 6763 | |
| <I/σ(I)> | 8.8 | 1.1 |
| Completeness [%] | 87.0 | 99.7 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.6 | 289 | 60-65% MPD, 50mM NaOAc, 5mM Pb(NO3)2, pH 3.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
