4LIZ
Crystal structure of coactosin from Entamoeba histolytica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-28 |
| Detector | MARmosaic 225 |
| Wavelength(s) | 0.97372 |
| Spacegroup name | P 65 |
| Unit cell lengths | 76.601, 76.601, 54.647 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.210 - 1.499 |
| R-factor | 0.16336 |
| Rwork | 0.162 |
| R-free | 0.18827 |
| Structure solution method | SAD |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.680 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
| High resolution limit [Å] | 1.499 | 3.230 | 1.499 |
| Rmerge | 0.054 | 0.041 | 0.331 |
| Number of reflections | 28852 | ||
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 98.2 | 99.2 | 85.2 |
| Redundancy | 8.6 | 9.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 100 mM HEPES, 33 % PEG 3350, 100mM Sodium acetate, 0.2 mM CaCl2, 10mM MgCl2, pH 7.3 - 7.5, vapor diffusion, hanging drop, temperature 289K |
