4DP4
The 1.54 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 6.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.913, 46.246, 52.648 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.740 - 1.540 |
| R-factor | 0.16317 |
| Rwork | 0.160 |
| R-free | 0.23294 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1plc |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.493 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.740 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.068 | 0.433 |
| Number of reflections | 11778 | |
| <I/σ(I)> | 16.7 | 2.2 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 2.6 M ammonium sulfate, 0.1 M sodium acetate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
