4PUA
Crystal Structure Of glutathione transferase YghU from Streptococcus pneumoniae ATCC 700669, complexed with glutathione, Target EFI-507284
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-07 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 55.033, 59.887, 170.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.060 - 1.708 |
| R-factor | 0.1894 |
| Rwork | 0.187 |
| R-free | 0.23678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mzw |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.814 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.063 | 1.800 |
| High resolution limit [Å] | 1.708 | 1.708 |
| Rmerge | 0.083 | 1.363 |
| Number of reflections | 30529 | |
| <I/σ(I)> | 11.5 | 2 |
| Completeness [%] | 98.8 | 97.5 |
| Redundancy | 6.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 273 | 0.2 M sodium tartrate dibasic, 20% w/v PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
