4EQ9
1.4 Angstrom Crystal Structure of ABC Transporter Glutathione-Binding Protein GshT from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.801, 42.391, 74.248 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 27.030 - 1.400 |
| R-factor | 0.16883 |
| Rwork | 0.168 |
| R-free | 0.18993 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q2a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.479 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.043 | 0.636 |
| Number of reflections | 51214 | |
| <I/σ(I)> | 28.9 | 2.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Protein: 0.3M Sodium chloride, 0.01M HEPES pH 7.5; Screen: 0.05M ADA (N-(2-Acetamido)iminodiacetic Acid) pH 7.0, 25% (w/v) PEG 3350; Cryo: paratone, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
