5MLT
Structural characterization of a carbohydrate substrate binding protein from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.240, 82.540, 60.350 |
| Unit cell angles | 90.00, 107.76, 90.00 |
Refinement procedure
| Resolution | 49.640 - 1.610 |
| R-factor | 0.19469 |
| Rwork | 0.193 |
| R-free | 0.22871 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.389 |
| Data reduction software | xia2 (v1-3-4) |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | SHELXCD (2016/1) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.640 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.023 | 0.443 |
| Number of reflections | 62913 | |
| <I/σ(I)> | 16.4 | 4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 6.6 | 6.9 |
| CC(1/2) | 0.999 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.02 M Mes pH 6.5, 0.2 M NaCl, 2.5% glycerol and 0.5 mM TCEP |
