3TOL
Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.546, 69.506, 126.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.280 - 2.000 |
| R-factor | 0.1939 |
| Rwork | 0.190 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.259 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.280 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.349 | |
| Number of reflections | 34063 | |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 99.0 | 99.8 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 20% PEG 3350, 2.1 mM ZnCl2, 20mM CaCl2 and 100 mM BISTRIS, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
