4H5F
Crystal structure of an amino acid ABC transporter substrate-binding protein from Streptococcus pneumoniae Canada MDR_19A bound to L-arginine, form 1
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 | IMAGE PLATE |
| Collection date | 2012-06-30 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.978560 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.373, 61.705, 103.626 |
| Unit cell angles | 90.00, 118.04, 90.00 |
Refinement procedure
| Resolution | 91.461 - 1.900 |
| R-factor | 0.1658 |
| Rwork | 0.164 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wdn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.185 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.461 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.435 |
| Number of reflections | 85607 | |
| <I/σ(I)> | 9.6 | 2.3 |
| Completeness [%] | 98.0 | 99.2 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, PEG 2K MME 30% (w/v), 2% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
