2AS1
cytochrome c peroxidase in complex with thiopheneamidine
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 | 51.076, 76.023, 107.164 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.550 |
| R-factor | 0.152 |
| Rwork | 0.152 |
| R-free | 0.19950 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ac4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.013 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.041 | |
| Number of reflections | 61090 | |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 99.3 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
