5BV2
Crystal structure of E. coli HPII catalase variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.10 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.789, 171.331, 122.484 |
| Unit cell angles | 90.00, 121.55, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.530 |
| R-factor | 0.08475 |
| Rwork | 0.082 |
| R-free | 0.13211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bfl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.502 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | |
| Number of reflections | 305824 | |
| <I/σ(I)> | 14.63 | |
| Completeness [%] | 67.7 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2% PEG20000, 15% PEG5000 MME, 0.1 M potassium chloride, 0.1 M manganese acetate, 0.1 M HEPES |
