6UOF
1.2 Angstrom Resolution Crystal Structure of CBS Domains of Transcriptional Regulator from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.313, 42.872, 89.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.110 - 1.200 |
| R-factor | 0.1675 |
| Rwork | 0.167 |
| R-free | 0.18610 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.578 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.078 | 0.781 |
| Rmeas | 0.085 | 0.845 |
| Rpim | 0.033 | 0.320 |
| Number of reflections | 33475 | 1641 |
| <I/σ(I)> | 23.7 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.901 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | Protein: 7.12 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3. Screen: Classics II (H1), 0.2M Magnesium chloride, 0.1M TRIS pH 8.5, 25% (w/v) PEG 3350 |
