3HBP
The crystal structure of C185S mutant of recombinant sulfite oxidase with bound substrate, sulfite, at the active site
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 | 2008-02-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 41 |
| Unit cell lengths | 86.284, 86.284, 152.339 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.620 - 2.400 |
| R-factor | 0.18054 |
| Rwork | 0.179 |
| R-free | 0.20179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | recombinant chicken liver sulfite oxidase 2A99 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.401 |
| 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] | 47.620 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 21565 | |
| <I/σ(I)> | 30.9 | 3.4 |
| Completeness [%] | 99.4 | 95.4 |
| Redundancy | 6.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 2% PEG 4000 (w/v), 10 % MPD (v/v), 100 mM Sodium acetate pH 5.0, and 0.5 mM Sodium Sulfite, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
