3ULG
Crystal structure of Calcium-Binding Protein-1 from Entamoeba histolytica in complex with barium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
Unit cell lengths | 95.210, 95.210, 62.986 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 3.200 |
R-factor | 0.25041 |
Rwork | 0.247 |
R-free | 0.31425 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nxq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.303 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 5485 | |
<I/σ(I)> | 15.4 | |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 289 | 60-65% MPD, 0.05M Sodium acetate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |