4DP2
The 1.8 Angstrom crystal structure of oxidized (CuII) 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 | 2002-02-20 |
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 - 1.800 |
R-factor | 0.14319 |
Rwork | 0.141 |
R-free | 0.18486 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1plc |
RMSD bond length | 0.024 |
RMSD bond angle | 2.347 |
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 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.045 | 0.163 |
Number of reflections | 7571 | |
<I/σ(I)> | 23 | 9.1 |
Completeness [%] | 99.1 | 96.8 |
Redundancy | 3.9 | 3.5 |
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 |