4IFB
Crystal structure of SULT 2A1 LLGG mutant with PAPS
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 | 2011-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.374, 94.683, 129.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.590 - 2.300 |
| R-factor | 0.1753 |
| Rwork | 0.173 |
| R-free | 0.21345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f3y |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.534 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.074 | |
| Number of reflections | 40906 | |
| <I/σ(I)> | 23.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 1.6M NaH2PO4/0.4M K2HPO4, 0.1M phosphate-citrate (pH 4.2), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
