3LD2
The Crystal Structure of smu.2055 from Streptococcus mutans UA159
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-31 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9791 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.000, 95.000, 192.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.998 - 2.500 |
R-factor | 0.2292 |
Rwork | 0.225 |
R-free | 0.28830 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.429 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 29430 | |
Completeness [%] | 99.4 | 96.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 30% (v/v) pentaerythritol ethoxylate (15/4 EO/OH), 0.05M Bis-tris pH 6.5, 0.05M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 289K |