2Y5A
Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-30 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.853, 75.362, 106.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.180 - 1.250 |
| R-factor | 0.15026 |
| Rwork | 0.150 |
| R-free | 0.16388 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ac4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.104 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.030 | 0.180 |
| Number of reflections | 113329 | |
| <I/σ(I)> | 42.3 | 4.5 |
| Completeness [%] | 99.2 | 97.5 |
| Redundancy | 3.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | CRYSTAL WAS SOAKED IN: 125 MM ACETIC ACID / BTP PH 4.5, 25% MPD. |
