3NWL
The crystal structure of the P212121 form of bovine liver catalase previously characterized by electron microscopy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.652, 173.744, 186.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.980 - 2.690 |
| R-factor | 0.20539 |
| Rwork | 0.203 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4blc |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.442 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.136 | 0.404 |
| Number of reflections | 60233 | |
| <I/σ(I)> | 15.73 | 3.95 |
| Completeness [%] | 96.3 | 86.4 |
| Redundancy | 9.6 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop vapor diffusion using polymer-induced heteronucleation | 6.8 | 273 | 0.05 M sodium phosphate pH 6.8, 12% PEG 4000, sitting drop vapor diffusion using polymer-induced heteronucleation, temperature 273K |
