2ZN9
Crystal structure of Ca2+-bound form of des3-20ALG-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 |
Unit cell lengths | 72.024, 72.024, 91.663 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.660 - 2.400 |
R-factor | 0.23749 |
Rwork | 0.234 |
R-free | 0.29843 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hqv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.339 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.065 | 0.461 |
Number of reflections | 18354 | |
<I/σ(I)> | 11.8 | 8.2 |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 18% PEG 8000, 0.1M Sodium Cacodylate, 0.2M Calcium Acetate hydrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |