4DP0
The 1.5 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin B at pH 4.0
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 | 31.913, 46.246, 52.648 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.750 - 1.500 |
R-factor | 0.15325 |
Rwork | 0.150 |
R-free | 0.21657 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1plc |
RMSD bond length | 0.029 |
RMSD bond angle | 2.423 |
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] | 34.750 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.078 | 0.465 |
Number of reflections | 12433 | |
<I/σ(I)> | 15.9 | 2.1 |
Completeness [%] | 96.5 | 95.1 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 | 2.6 M ammonium sulfate, 0.1 M sodium acetate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |