1SI8
Crystal structure of E. faecalis catalase
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 | CCD |
| Collection date | 2002-10-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.094 |
| Spacegroup name | H 3 |
| Unit cell lengths | 236.860, 236.860, 198.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2CAE (P. mirabilis catalase) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.530 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.092 | 0.304 |
| Number of reflections | 183738 | |
| <I/σ(I)> | 7.7 | 2.9 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 50mM Bis-Tris, 1.6M Lithium sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
