1R0Q
Characterization of the conversion of the malformed, recombinant cytochrome rc552 to a 2-formyl-4-vinyl (Spirographis) heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-11-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 65 |
| Unit cell lengths | 86.770, 86.770, 31.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.610 |
| R-factor | 0.1893 |
| Rwork | 0.187 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.022 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Number of reflections | 16127 | |
| <I/σ(I)> | 15.6 | 4 |
| Completeness [%] | 90.5 | 87 |
| Redundancy | 7.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 298 | MPEG 5K, imidazole-malate buffer, NaCl, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
