2GHD
Conformational mobility in the active site of a heme peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 82.293, 82.293, 75.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.810 - 1.400 |
| R-factor | 0.20701 |
| Rwork | 0.206 |
| R-free | 0.22949 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 |
| Data reduction software | MOSFLM |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.810 | 1.436 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.052 | 0.088 |
| Number of reflections | 52940 | |
| Completeness [%] | 92.8 | 96.6 |
| Redundancy | 4.7 |
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 |
