1ITK
Crystal structure of catalase-peroxidase from Haloarcula marismortui
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-01-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 317.632, 82.141, 75.102 |
| Unit cell angles | 90.00, 100.24, 90.00 |
Refinement procedure
| Resolution | 34.100 - 2.000 |
| Rwork | 0.182 |
| R-free | 0.20500 * |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.620 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.100 * | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.052 | 0.140 |
| Total number of observations | 479060 * | |
| Number of reflections | 128391 | 18662 * |
| <I/σ(I)> | 9.3 | 5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 20 * | ammonium sulfate, potassium chloride, Tris/HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40-50 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | drop | ammonium sulfate | 2.0 (M) | |
| 4 | 1 | drop | 0.5 (M) | ||
| 5 | 1 | reservoir | ammonium sulfate | 3.0-3.2 (M) |
