2A9D
Crystal structure of recombinant chicken sulfite oxidase with Arg at residue 161
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.137, 123.102, 55.129 |
| Unit cell angles | 90.00, 94.31, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.701 |
| R-factor | 0.157 |
| Rwork | 0.155 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sox |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.571 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.071 | 0.048 | 0.386 |
| Number of reflections | 77687 | ||
| Completeness [%] | 95.1 | ||
| Redundancy | 2.1 | 2.2 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | PEG 8000, MES, Magnesium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
