4EXL
Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A
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 | 2012-03-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.633, 76.501, 111.066 |
| Unit cell angles | 90.00, 93.88, 90.00 |
Refinement procedure
| Resolution | 24.851 - 1.700 |
| R-factor | 0.1663 |
| Rwork | 0.165 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1twy |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.681 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 107654 | |
| <I/σ(I)> | 26.86 | 2.25 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% (w/v) PEG 3350, 0.2 M magnesium chloride, 0.1 M Tris-Cl pH8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
