1MKQ
Crystal Structure of the Mutant Variant of Cytochrome c Peroxidase in the 'Open' Uncross-linked form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 116.1 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.598, 74.943, 50.987 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.640 |
| Rwork | 0.184 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | H52Y model - PDB Entry 1MK8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 2.174 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.053 | 0.353 |
| Total number of observations | 673145 * | |
| Number of reflections | 50987 | |
| <I/σ(I)> | 38.51 | 3.165 |
| Completeness [%] | 97.2 | 77.9 |
| Redundancy | 13.202 | 3.816 |
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 (%) |
