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 |