2BH5
X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 295 K.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR78 |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-03 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.457, 43.011, 87.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.850 - 1.950 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cot |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.850 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.120 | 0.390 |
| Number of reflections | 9207 | |
| <I/σ(I)> | 13.6 | 2.8 |
| Completeness [%] | 99.3 | 92.5 |
| Redundancy | 6.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 3.2 M AMMONIUM SULFATE, 0.1 M BICINE PH 9 |
