6ATJ
RECOMBINANT HORSERADISH PEROXIDASE C COMPLEX WITH FERULIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1995-07 |
Detector | RIGAKU |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.297, 67.272, 117.646 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.000 - 2.000 |
Rwork | 0.166 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1atj |
RMSD bond length | 0.010 * |
RMSD bond angle | 21.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.076 | 0.208 |
Total number of observations | 108409 * | |
Number of reflections | 21778 | |
Completeness [%] | 97.2 * | 96 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 10 * | 16% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 20 (%(w/v)) | |
2 | 1 | reservoir | 0.2 (M) | ||
3 | 1 | reservoir | cacodylate | 0.1 (M) |