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 |