6PO0
The structure of the orthorhombic (P212121) crystal form of beef liver catalase at 1.85 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2018-07-15 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.984, 140.386, 228.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 119.570 - 1.750 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.20660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.434 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 228.180 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.152 | 6.333 |
| Rmeas | 0.156 | 7.314 |
| Rpim | 0.033 | 3.520 |
| Total number of observations | 4257522 | |
| Number of reflections | 202103 | 1168 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 74.7 | 8.9 |
| Redundancy | 21.1 | 3.7 |
| CC(1/2) | 0.999 | 0.062 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Crystals grown from 20 mM magnesium formate in 0.1 M Mes pH 6.5 reservoirs with drops equal amounts of 40 mg/ml catalase in water and the reservoir solution. Generally 2 to 6 days at room temperature. |
