3L7Y
The Crystal Structure of SMU.1108c 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 | 2008-09-13 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.094, 80.198, 47.937 |
Unit cell angles | 90.00, 99.51, 90.00 |
Refinement procedure
Resolution | 55.177 - 1.996 |
R-factor | 0.1905 |
Rwork | 0.184 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rlm |
RMSD bond length | 0.007 |
RMSD bond angle | 1.379 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.200 | 2.150 |
High resolution limit [Å] | 1.996 | 1.996 |
Number of reflections | 17580 | |
Completeness [%] | 90.2 | 55.9 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M tris pH 8.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |