4MGE
1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis.
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 | 2013-07-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.788, 70.802, 84.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.890 - 1.850 |
| R-factor | 0.17841 |
| Rwork | 0.176 |
| R-free | 0.22364 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iib |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.472 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.049 | 0.502 |
| Number of reflections | 15627 | |
| <I/σ(I)> | 33.5 | 3.2 |
| Completeness [%] | 99.6 | 98.1 |
| Redundancy | 7.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 7.5 mG/mL, 0.25 M Sodium chloride, 0.01 M Tris-HCL buffer pH 8.3; Screen: Classics II (B7), 0.056 M Sodium phosphate, 1.344 M Potasium phosphate; Cryo: 4.0 M Sodium formate., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
