2XIL
The structure of cytochrome c peroxidase Compound I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.040, 75.040, 106.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.110 - 1.680 |
| R-factor | 0.15535 |
| Rwork | 0.153 |
| R-free | 0.19937 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v2e |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.182 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (CCP4) |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.760 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.070 | 0.240 |
| Number of reflections | 40890 | |
| <I/σ(I)> | 10.9 | 3.8 |
| Completeness [%] | 92.0 | 81 |
| Redundancy | 2.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | KPI 50 MM PH 6.5, MPD 30% (V/V) |
