3HBQ
Structure of recombinant Chicken Liver Sulfite Oxidase mutant Cys 185 Ala
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 |
| Unit cell lengths | 86.284, 86.284, 152.991 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.670 - 2.800 |
| R-factor | 0.17768 |
| Rwork | 0.175 |
| R-free | 0.22791 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a99 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.611 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.670 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 13652 | |
| <I/σ(I)> | 27.7 | 4.8 |
| Completeness [%] | 99.3 | 94.3 |
| Redundancy | 5.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 15% (w/v) PEG 4000 and 150 mM Ammonium sulfate, and 100 mM MES pH 6.0 , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
