4GNR
1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
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 | 2012-07-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.274, 72.819, 57.542 |
| Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
| Resolution | 27.780 - 1.000 |
| R-factor | 0.12722 |
| Rwork | 0.126 |
| R-free | 0.14656 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z18 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.747 |
| 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 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.048 | 0.487 |
| Number of reflections | 159549 | |
| <I/σ(I)> | 22.85 | 2.2 |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 4.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Protein at 66 mg/mL, Crystallization condition: PEG 4K 30% w/v Mg Chloride 0.2M Tris0.1M, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
