3AAJ
Crystal structure of Ca2+-bound form of des3-23ALG-2deltaGF122
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.580, 78.940, 60.333 |
| Unit cell angles | 90.00, 104.58, 90.00 |
Refinement procedure
| Resolution | 30.280 - 2.400 |
| R-factor | 0.20035 |
| Rwork | 0.196 |
| R-free | 0.26607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hqv |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.675 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.053 | 0.188 |
| Number of reflections | 15185 | |
| <I/σ(I)> | 15.5 | 5.8 |
| Completeness [%] | 97.9 | 95.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.05M Cacodylate, 2.5% PEG 4000, 0.3M Ammonium acetate, 0.01M CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
