3FZ4
The crystal structure of a possible arsenate reductase from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.857, 41.357, 76.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.510 - 1.380 |
| R-factor | 0.1688 |
| Rwork | 0.167 |
| R-free | 0.20786 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.393 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.510 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.073 | 0.625 |
| Number of reflections | 21569 | |
| <I/σ(I)> | 41 | 2.62 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 8.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 0.2M Zn(OAc)2, 0.1M Acetate, 10% w/v PEG 3000, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
