4GBM
Sulfotransferase Domain from the Curacin Biosynthetic Pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.856, 67.299, 118.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.340 - 1.620 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.18200 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.128 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
| High resolution limit [Å] | 1.620 | 3.490 | 1.620 |
| Rmerge | 0.074 | 0.052 | 0.375 |
| Number of reflections | 46830 | ||
| <I/σ(I)> | 16.2 | ||
| Completeness [%] | 98.5 | 99.7 | 89.6 |
| Redundancy | 6.6 | 7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 25-31% PEG MME 550, 2.5-12.5 mM ZnSO4, 100 mM MES, pH 6.5, vapor diffusion, hanging drop, temperature 277K |
