3IV3
The Structure of a putative tagatose 1,6-aldolase from Streptococcus mutans
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97951, 0.97937 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.214, 113.759, 74.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.420 - 1.800 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.17600 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.355 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.108 | 0.737 |
| Number of reflections | 44503 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 15.1 | 14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 289 | 0.49 M Sodium phosphate monobasic monohydrate, 0.91 M Potassium phosphate dibasic, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
