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 |