2ZND
Crystal structure of Ca2+-free form of des3-20ALG-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.148, 48.833, 54.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.110 - 1.700 |
| R-factor | 0.19485 |
| Rwork | 0.193 |
| R-free | 0.22241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hqv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.293 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.082 | 0.381 |
| Number of reflections | 21369 | |
| <I/σ(I)> | 11.8 | 2.5 |
| Completeness [%] | 99.5 | 96.4 |
| Redundancy | 6.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 40% 2-methyl-2,4-pentanediol, 0.1M Na2HPO4-KH2PO4, 2mM EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
