4KGI
Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-his-tag linker in active site
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 | 2013-04-17 |
| Detector | RAYONIX 225 HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.849, 63.964, 64.238 |
| Unit cell angles | 94.41, 103.23, 92.11 |
Refinement procedure
| Resolution | 26.267 - 1.600 |
| R-factor | 0.1776 |
| Rwork | 0.176 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n2a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.321 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.675 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.068 | 0.475 |
| Number of reflections | 111907 | |
| <I/σ(I)> | 9.8 | 2.5 |
| Completeness [%] | 95.0 | 93.5 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop vapor diffusion | 7.5 | 298 | Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 5% glycerol, 5 mM GSH); Reservoir (25 % v/v Jeffamine SD2001 0.1 M sodium malonate, 0.1 M MES-NaOH pH 5.5); Cryoprotection (reservoir + 20% diethylene glycol), sitting drop vapor diffusion, temperature 298K |
