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 |