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 |