3U3O
Crystal structure of Human SULT1A1 bound to PAP and two 3-Cyano-7-hydroxycoumarin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.180, 123.130, 44.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.269 - 2.000 |
| R-factor | 0.17811 |
| Rwork | 0.176 |
| R-free | 0.21051 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.971 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.269 | 18.800 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.093 | 0.136 | |
| Number of reflections | 25600 | ||
| <I/σ(I)> | 10.3 | 6.4 | 3.7 |
| Completeness [%] | 93.6 | 81.2 | 86.6 |
| Redundancy | 4.1 | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | Magnesium chloride, BIS-TRIS, Polyethylene glycol 3,350, pH 6.5, vapor diffusion, temperature 293K |
