2GHC
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) | 1.0000 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 81.909, 81.909, 75.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.640 - 1.250 |
| R-factor | 0.18965 |
| Rwork | 0.189 |
| R-free | 0.20721 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.049 |
| Data reduction software | MOSFLM |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.880 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.107 | |
| Number of reflections | 71053 | |
| <I/σ(I)> | 12.8 | 3.9 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 4.3 |
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 |
