7ATJ
RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1998-10 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.868, 66.930, 119.017 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.000 - 1.470 |
R-factor | 0.16 * |
R-free | 0.20300 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1atj |
RMSD bond length | 0.010 |
RMSD bond angle | 0.026 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.000 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.072 | 0.258 |
Total number of observations | 379088 * | |
Number of reflections | 51544 | |
Completeness [%] | 91.2 | 82.7 |
Redundancy | 7.3 |
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) |