3L7T
Crystal structure of SMU.1112c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-23 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.603, 72.577, 86.851 |
| Unit cell angles | 90.00, 94.45, 90.00 |
Refinement procedure
| Resolution | 28.830 - 1.800 |
| R-factor | 0.22394 |
| Rwork | 0.222 |
| R-free | 0.26229 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p25 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 53751 | |
| Completeness [%] | 98.4 | 97.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.1M Sodium Malonate pH7.0, 0.1M HEPES pH7.0, 0.5% v/v Jeffamin ED-2001 Reagent pH7.0, 0.3M NDSB-195, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
