3I4C
Crystal structure of Sulfolobus Solfataricus ADH(SsADH) double mutant (W95L,N249Y)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-20 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.729, 91.545, 118.368 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 32.360 - 2.000 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nto |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | 0.433 |
| Number of reflections | 149954 | |
| <I/σ(I)> | 22.5 | 3.3 |
| Completeness [%] | 97.8 | 90.3 |
| Redundancy | 5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 296 | 7%(W/V) PEG 4000, 7%(V/V) ISOPROPANOL, 50MM SODIUM CITRATE PH 5.6, 50MM TRIS PH 7.8, 25MM COCL2 , VAPOR DIFFUSION, HANGING DROP, temperature 296K |
