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 |