2BH4
X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 100 K.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.868, 42.880, 87.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.850 - 1.550 |
| R-factor | 0.15 |
| Rwork | 0.147 |
| R-free | 0.20200 |
| Structure solution method | OTHER |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.438 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.850 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.040 | 0.050 |
| Number of reflections | 17450 | |
| <I/σ(I)> | 20.6 | 11.7 |
| Completeness [%] | 97.7 | 82.6 |
| Redundancy | 3.7 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | 3.2 M AMMONIUM SULFATE, 0.1 M BICINE PH9, pH 9.00 |
