3VX4
Crystal Structure of the Nucleotide-Binding Domain of S. mutans ComA, a Bifunctional ATP-binding Cassette Transporter Involved in the Quorum-sensing Pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-21 |
Detector | MX-225HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 62 |
Unit cell lengths | 129.611, 129.611, 72.425 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.430 - 2.690 |
R-factor | 0.19393 |
Rwork | 0.191 |
R-free | 0.24816 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ixe |
RMSD bond length | 0.016 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.690 | 2.690 |
Rmerge | 0.170 | |
Number of reflections | 19445 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 277 | 20% polyethylene glycol 8000, 0.1M CAPS, 0.2M NaCl, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |