2GHH
Conformational mobility in the active site of a heme peroxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.692, 82.692, 74.772 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.860 - 2.013 |
R-factor | 0.18713 |
Rwork | 0.183 |
R-free | 0.25837 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.015 |
RMSD bond angle | 1.457 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.860 | 2.064 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.051 | |
Number of reflections | 16455 | |
Completeness [%] | 97.3 | 95.9 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 273 | 0.1 M HEPES, pH 8.3, 2.25 M Lithium Sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 273K |