3JRK
A putative tagatose 1,6-diphosphate aldolase from Streptococcus pyogenes
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 | 2009-08-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97940, 0.97952 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.517, 169.729, 167.054 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.970 |
| R-factor | 0.1903 |
| Rwork | 0.188 |
| R-free | 0.22985 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.235 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.106 | 0.875 |
| Number of reflections | 210281 | |
| <I/σ(I)> | 21.4 | 1.39 |
| Completeness [%] | 99.7 | 95.1 |
| Redundancy | 4.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 277 | 0.1M tri-sodium citrate, 20% (w/v) PEG 4000, 5% (w/v) isopropanol, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
