2GUP
Structural Genomics, the crystal structure of a ROK family protein from Streptococcus pneumoniae TIGR4 in complex with sucrose
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.678, 114.665, 117.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.510 - 2.010 |
| R-factor | 0.18689 |
| Rwork | 0.185 |
| R-free | 0.22823 |
| Structure solution method | SAD |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.288 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.510 | 2.070 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.100 | 0.511 |
| Number of reflections | 23027 | |
| <I/σ(I)> | 27.14 | 2.05 |
| Completeness [%] | 92.0 | 70.9 |
| Redundancy | 6.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 20% (W/V) PEG-8000, 0.1M MgCl2, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
