3L7N
Crystal structure of SMU.1228c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-04 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 104.083, 104.083, 195.621 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.290 - 2.700 |
| R-factor | 0.20486 |
| Rwork | 0.204 |
| R-free | 0.22375 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o1y |
| RMSD bond length | 0.035 |
| RMSD bond angle | 1.382 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.290 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 11483 | |
| Completeness [%] | 99.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20-22% PEG 1000, 0.2M (NH4)2SO4, 0.1M Na/K phosphate pH6.5, 0.1M Guanidine hydrochloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
