1H58
STRUCTURE OF FERROUS HORSERADISH PEROXIDASE C1A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-05-15 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.266, 67.091, 117.523 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.900 - 1.700 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.20000 |
Structure solution method | OTHER |
RMSD bond length | 0.022 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.900 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.065 | 0.156 |
Number of reflections | 34886 | |
<I/σ(I)> | 16.7 | 6.6 |
Completeness [%] | 97.7 | 97.7 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 20% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE BUFFER, PH 6.5 THE FERROUS STATE WAS FORMED BY SOAKING THE CRYSTALS FOR 30 MINUTES IN A RESERVOIR SOLUTION SUPPLEMENTED WITH 100 MM SODIUM DITHIONITE AND PEG400 BEFORE FLASH FREEZING |