3MLC
Crystal structure of FG41MSAD inactivated by 3-chloropropiolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-12-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 144.227, 144.227, 144.227 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 102.060 - 2.224 |
| R-factor | 0.2265 |
| Rwork | 0.224 |
| R-free | 0.27504 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mjz |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.687 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CaspR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.060 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.116 | 0.894 |
| Number of reflections | 47735 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 95.1 | 55.9 |
| Redundancy | 33.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Sitting drop | 8.5 | 277 | 3 micro liter of protein solution (24.5 mg/mL in 10 mM sodium phosphate buffer, pH 8) mixed with 3 micro liter crystallization solution (0.1 M Tris hydrochloride buffer, pH 8.5, 2.0 M mono-ammonium dihydrogen phosphate), Sitting drop, temperature 277K |
