3R18
Chicken sulfite oxidase double mutant with altered activity and substrate affinity
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 | 85.623, 85.623, 153.371 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.510 - 2.400 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a99 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.285 |
| 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] | 47.510 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 21499 | |
| <I/σ(I)> | 23.1 | 3.16 |
| Completeness [%] | 99.6 | 96.9 |
| Redundancy | 4.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 17% PEG 10,000 (W/V), 10 mM barium chloride dihydrate, 100 mM ammonium acetate, 100 mM bis-TRIS propane pH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |
