3VNW
Crystal structure of cytochrome c552 from Thermus thermophilus at pH 5.44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-07-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 |
| Unit cell lengths | 86.980, 86.980, 31.820 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.970 |
| R-factor | 0.21406 |
| Rwork | 0.213 |
| R-free | 0.23243 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dt1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.275 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.680 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.088 | 0.312 |
| Number of reflections | 9814 | |
| <I/σ(I)> | 9.7 | 3.6 |
| Completeness [%] | 98.6 | 98.4 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.44 | 298 | 0.2M Imidazole-Malate, 42% MPEG 5K, pH 5.44, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
