4DPB
The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 8.0
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 | 2002-03-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.05 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.187, 46.404, 56.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.940 - 1.000 |
R-factor | 0.11771 |
Rwork | 0.117 |
R-free | 0.13629 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1plc |
RMSD bond length | 0.025 |
RMSD bond angle | 2.415 |
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] | 15.940 | 1.020 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.048 | 0.271 |
Number of reflections | 41299 | |
<I/σ(I)> | 20.7 | 3 |
Completeness [%] | 97.1 | 88.2 |
Redundancy | 3.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 2.6 M ammonium sulfate, 0.1 M sodium phosphate buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |