3HC2
Crystal Structure of chicken sulfite oxidase mutant Tyr 322 Phe
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) | 0.97903 |
| Spacegroup name | I 41 |
| Unit cell lengths | 86.449, 86.449, 153.782 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.840 - 2.500 |
| R-factor | 0.17749 |
| Rwork | 0.175 |
| R-free | 0.22183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a99 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.369 |
| 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] | 47.840 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 19498 | |
| <I/σ(I)> | 39.8 | 5.4 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 6.6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 10% PEG 5000 MME, 100 mM Magnesium acetate, 100 mM Sodium Citrate pH5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
