2ZRS
Crystal structure of Ca2+-bound form of des3-23ALG-2
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 | 2006-03-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.780, 154.425, 237.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.100 |
| R-factor | 0.22757 |
| Rwork | 0.222 |
| R-free | 0.27976 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hqv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.138 |
| 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] | 118.680 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.094 | 0.309 |
| Number of reflections | 37803 | |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 100.0 | 98.4 |
| Redundancy | 7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 50mM MES, 12.5% 2-propanol, 150mM calcium acetate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
