4I62
1.05 Angstrom crystal structure of an amino acid ABC transporter substrate-binding protein AbpA from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine
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 | 2012-10-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.682, 55.028, 46.673 |
| Unit cell angles | 90.00, 114.09, 90.00 |
Refinement procedure
| Resolution | 23.072 - 1.050 |
| R-factor | 0.1662 |
| Rwork | 0.166 |
| R-free | 0.17930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wdn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.457 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Number of reflections | 91003 | |
| <I/σ(I)> | 30.58 | 2.58 |
| Completeness [%] | 99.2 | 94.2 |
| Redundancy | 6.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M HEPES pH 7.0, 30% Jeffamine ED-2001 pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
