7D1X
Crystal structure of 7-alpha-hydroxyl bile acid sulfotransferase (Sult2a8)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-10-29 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 42 |
Unit cell lengths | 93.870, 93.870, 71.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.680 - 2.500 |
R-factor | 0.2467 |
Rwork | 0.238 |
R-free | 0.27150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f3y |
RMSD bond length | 0.003 |
RMSD bond angle | 0.721 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_3922) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.680 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.157 | 0.471 |
Number of reflections | 21605 | 3135 |
<I/σ(I)> | 5.6 | 2.2 |
Completeness [%] | 99.0 | |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | MES, PEG3350, MgCl2 |