2VV5
The open structure of MscS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 230.880, 126.620, 123.220 |
| Unit cell angles | 90.00, 90.42, 90.00 |
Refinement procedure
| Resolution | 123.090 - 3.450 |
| R-factor | 0.294 |
| Rwork | 0.293 |
| R-free | 0.31200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oau |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.247 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 3.550 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Rmerge | 0.080 | 0.800 |
| Number of reflections | 46433 | |
| <I/σ(I)> | 12 | 1.8 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 4.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | THE BEST CRYSTALS (BY VISUAL INSPECTION) WERE OBTAINED USING 0.1M HEPES PH 7.2, 0.2 M SODIUM FORMATE, 14 % PEG3350, 8 % GLYCEROL AS PRECIPITANT. PRIOR TO DATA COLLECTION, CRYSTALS WERE TRANSFERRED INTO A SOLUTION CONTAINING 40MM TRIS PH 7.5, 0.01% FOS-CHOLINE-14, 0.15 M NACL, 0.3 M SODIUM FORMATE, 20% GLYCEROL AND 22% PEG3350. |
