3BJV
The Crystal Structure of a putative PTS IIA(PtxA) from Streptococcus mutans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2007-12-02 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 40.754, 40.754, 169.556 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.280 - 2.400 |
R-factor | 0.166 |
Rwork | 0.154 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oqt |
RMSD bond length | 0.020 |
RMSD bond angle | 1.826 |
Data reduction software | PROTEUM PLUS |
Data scaling software | PROTEUM PLUS |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.650 | 2.540 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.072 | 0.130 |
Number of reflections | 6026 | |
<I/σ(I)> | 10.08 | 0.1297 |
Completeness [%] | 97.1 | 85.1 |
Redundancy | 9.3 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.9 | 289 | 0.1M Tris-Hcl, 1.9-2.1M (NH4)2SO4, pH 7.9, Vapor diffusion, temperature 289K |