3L87
The Crystal Structure of smu.143c from Streptococcus mutans UA159
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-30 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.589, 55.621, 85.778 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.670 - 2.000 |
R-factor | 0.21863 |
Rwork | 0.215 |
R-free | 0.28524 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2os3 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.769 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.640 | 2.270 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 10849 | |
Completeness [%] | 68.0 | 30.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 20% PEG 3350 , 0.1M HEPES pH7.5, 0.1M Lithium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K |