4EQB
1.5 Angstrom Crystal Structure of Spermidine/Putrescine ABC Transporter Substrate-Binding Protein PotD from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Calcium and HEPES
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 |
| Unit cell lengths | 45.635, 54.347, 76.704 |
| Unit cell angles | 75.83, 80.87, 77.56 |
Refinement procedure
| Resolution | 29.100 - 1.500 |
| R-factor | 0.15651 |
| Rwork | 0.155 |
| R-free | 0.18554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pot |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.471 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.044 | 0.554 |
| Number of reflections | 107591 | |
| <I/σ(I)> | 33.2 | 3.2 |
| Completeness [%] | 96.8 | 95.6 |
| Redundancy | 5.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | Protein: 0.3M Sodium chloride, 0.01M HEPES; Screen: 0.2M Lithium citrate, 2% Tascimate, 20% (w/v) PEG 3350; Cryo: paratone, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
