3U4G
The Structure of CobT from Pyrococcus horikoshii
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-06 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97918, 0.97953 |
| Spacegroup name | P 64 |
| Unit cell lengths | 82.751, 82.751, 84.814 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.1708 |
| Rwork | 0.169 |
| R-free | 0.21560 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.710 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.071 | 0.057 | 0.664 |
| Number of reflections | 25516 | ||
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 98.1 | 92.9 | 99.2 |
| Redundancy | 12.2 | 11.9 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | 0.2M Amonium Sulfate, 0.1M Sodium Acetate, pH 4.6, 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
