3TH7
Crystal structure of unliganded Co2+2-HAI (pH 7.0)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 3 |
| Unit cell lengths | 90.406, 90.406, 69.741 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.2824 |
| Rwork | 0.282 |
| R-free | 0.32870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aeb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.126 | 0.417 |
| Number of reflections | 36600 | |
| <I/σ(I)> | 12.246 | 4.176 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Metal-free HAI crystals were soaked in 20 mM CoCl2, 100 mM HEPES, 30% (v/v) Jeffamine ED-2001 for 25 hours, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
