4JCC
Crystal structure of iron uptake ABC transporter substrate-binding protein PiuA 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 | 2012-02-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.751, 44.685, 58.792 |
| Unit cell angles | 90.00, 106.65, 90.00 |
Refinement procedure
| Resolution | 31.520 - 1.133 |
| R-factor | 0.1459 |
| Rwork | 0.145 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2chu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.192 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.520 | 1.180 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.078 | 0.561 |
| Number of reflections | 95947 | |
| <I/σ(I)> | 9.8 | 2.7 |
| Completeness [%] | 98.5 | 96.6 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.5 M ammonium sulphate, 0.1 M sodium acetate pH 4.6, 2% isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
