4LAT
Crystal structure of phosphate ABC transporter, periplasmic phosphate-binding protein PstS 1 (PBP1) from Streptococcus pneumoniae Canada MDR_19A in complex with phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 46.780, 46.780, 209.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.770 - 1.880 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4exl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.041 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.772 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.098 | 0.602 |
| Number of reflections | 22528 | |
| <I/σ(I)> | 9.8 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 1.4 M sodium citrate, 0.1 M HEPES, 2% isopropanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
