2GGN
Conformational mobility in the active site of a heme peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 81.672, 81.672, 75.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.250 - 1.350 |
| R-factor | 0.19042 |
| Rwork | 0.190 |
| R-free | 0.20466 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.086 |
| Data reduction software | MOSFLM |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.880 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.097 | |
| Number of reflections | 56193 | |
| <I/σ(I)> | 17.8 | 4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 273 | 2.4 M lithium sulphate, 0.1 M HEPES pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
