4DP9
The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A 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 | 2002-02-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 29.012, 46.354, 57.091 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.990 - 1.000 |
| R-factor | 0.12221 |
| Rwork | 0.121 |
| R-free | 0.14397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1plc |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.663 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.990 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.045 | 0.260 |
| Number of reflections | 41152 | |
| <I/σ(I)> | 19.2 | 3.5 |
| Completeness [%] | 96.9 | 80.7 |
| Redundancy | 3.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 2.6 M ammonium sulfate, 0.1 M sodium phosphate buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
