5E5P
Wild type I-SmaMI in the space group of C121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-04 |
| Detector | RIGAKU SATURN 70 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.327, 58.230, 42.046 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 27.100 - 2.650 |
| R-factor | 0.17919 |
| Rwork | 0.175 |
| R-free | 0.26460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lox |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.105 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.100 | 2.730 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.149 | |
| Number of reflections | 10491 | |
| <I/σ(I)> | 22 | 7.5 |
| Completeness [%] | 98.5 | 87 |
| Redundancy | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% PEG8K, HEPES |
