3L9D
The Crystal Structure of smu.1046c 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 | 2009-04-20 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.006, 103.327, 64.008 |
Unit cell angles | 90.00, 115.51, 90.00 |
Refinement procedure
Resolution | 38.810 - 2.484 |
R-factor | 0.196 |
Rwork | 0.189 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2be3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.127 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.060 | |
High resolution limit [Å] | 2.484 | 2.484 |
Number of reflections | 17850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 8% PEG 1000, 0.1mM KCl, 0.1mM HEPES Na pH 7.0, 0.02mM MgCl2 , VAPOR DIFFUSION, SITTING DROP, temperature 289K |