2AQD
cytochrome c peroxidase (CCP) in complex with 2,5-diaminopyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.03313 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.804, 75.506, 106.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.350 |
R-factor | 0.1336 |
Rwork | 0.134 |
R-free | 0.16300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ac4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.014 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.033 | |
Number of reflections | 88088 | |
<I/σ(I)> | 28.4 | |
Completeness [%] | 99.5 | 96.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 310 | MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 310K |