4GRA
Crystal structure of SULT1A1 bound with PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.296, 122.428, 55.021 |
| Unit cell angles | 90.00, 92.12, 90.00 |
Refinement procedure
| Resolution | 48.310 - 2.560 |
| R-factor | 0.21633 |
| Rwork | 0.214 |
| R-free | 0.26613 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d06 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.262 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.560 | 2.600 |
| Rmerge | 0.108 | 0.355 |
| Number of reflections | 20267 | |
| <I/σ(I)> | 15.8 | 4.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 0.1M Tris PH 8.0, 20% PEG, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
