2G0J
Crystal structure of SMU.848 from Streptococcus mutans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 78.160, 78.160, 130.157 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.24 |
Rwork | 0.226 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.110 | 0.599 |
Number of reflections | 11810 | 1149 |
<I/σ(I)> | 7 | |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1M HEPES-NaOH, PH 7.5, 28% PEG 400, 0.2M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 289K |