1ML2
Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase with Zn(II)-(20-oxo-Protoporphyrin IX)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 116 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.487, 50.998, 118.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.650 |
| Rwork | 0.183 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1MK8 - H52Y1 Structure |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.180 |
| Data reduction software | DENZO |
| Data scaling software | X-GEN |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.044 | 0.127 |
| Total number of observations | 434384 * | |
| Number of reflections | 34532 | |
| <I/σ(I)> | 44.47 | 11.36 |
| Completeness [%] | 91.2 | 86.8 |
| Redundancy | 11.74 | 4.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 | 4 * | 2-Methyl-2,4-Pentanediol (MPD), tris-phosphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16 (mg/ml) | |
| 2 | 1 | drop | KPB | 50 (mM) | or Tris-phosphate, pH6.0 |
| 3 | 1 | drop | MPD | 18 (%) | |
| 4 | 1 | reservoir | MPD | 30 (%) |
