3H3S
Crystal structure of the CERT START domain in complex with HPA-15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2005-02-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.369, 74.564, 77.478 |
| Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.660 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.562 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.720 |
| High resolution limit [Å] | 1.660 | 3.580 | 1.660 |
| Rmerge | 0.058 | 0.035 | 0.545 |
| Number of reflections | 50367 | ||
| <I/σ(I)> | 27.512 | ||
| Completeness [%] | 91.5 | 98.9 | 52.9 |
| Redundancy | 3.2 | 3.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | vapor diffusion, temperature 293K |
