4U9E
Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, A104/57G AB3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-28 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 71.313, 92.213, 98.599 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.660 - 2.800 |
| R-factor | 0.239 |
| Rwork | 0.237 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bc5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.906 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.660 | 8.860 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.048 | 0.048 |
| Number of reflections | 4159 | |
| <I/σ(I)> | 22.2 | 22.2 |
| Completeness [%] | 98.9 | 98.9 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 27% (+/-)-2-methyl-2,4-pentanediol 400 in 100 mM Bis-Tris (pH 6.5) with 0.2M CaCl2 and 20 mM ampicillin |
