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 |